data_1toz_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 1toz _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 ' 412' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 431' ' ' ASN . 9.4 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 2.1 p -112.43 160.48 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.453 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 15.1 t0 -93.12 77.71 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.9 mp0 -57.92 -15.72 9.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.453 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -85.88 -15.53 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 1.0 OUTLIER -110.22 -9.25 14.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.513 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -73.39 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -148.11 16.66 1.35 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.56 90.86 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 103.24 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.569 1.168 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.618 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.1 Cg_endo -75.01 -40.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 6.1 m -43.96 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.519 ' N ' ' C ' ' A' ' 422' ' ' PRO . 7.4 mt-10 68.61 -106.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 426' ' ' ALA . 10.9 m-70 -131.64 46.4 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.597 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . 168.08 90.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 162.13 172.47 29.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -103.14 137.1 41.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 429' ' ' CYS . 0.1 OUTLIER -119.54 117.43 28.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.334 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.566 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -122.73 168.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.5 t30 -108.17 134.72 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.21 163.31 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.57 122.57 20.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.9 -44.65 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.605 1.191 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 432' ' ' THR . 15.1 m -132.89 169.3 16.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.618 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 5.7 p90 -102.98 149.69 24.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -114.58 142.92 45.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 450' ' ' GLU . 2.0 t -143.88 127.52 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 428' ' ' LYS . 45.6 mt-30 -80.97 160.5 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 444' ' ' TYR . 0.1 OUTLIER -93.7 155.3 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.568 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.06 106.48 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.568 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.6 OUTLIER 68.68 -93.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.38 74.65 0.43 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.3 m-85 -103.03 160.97 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.759 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.3 t -101.93 -126.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.693 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.32 163.77 38.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.77 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.3 OUTLIER -118.92 6.88 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.671 ' N ' ' HE2' ' A' ' 450' ' ' GLU . 0.4 OUTLIER 87.61 62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 108.263 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.671 ' HE2' ' N ' ' A' ' 449' ' ' CYS . 17.9 pm0 -149.39 15.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.759 ' O ' ' N ' ' A' ' 445' ' ' THR . 33.3 mm -122.91 147.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 6.4 t0 -101.42 121.98 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.4 p -98.99 165.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.541 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 59.6 t-20 -101.66 92.23 4.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.496 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -64.14 -7.56 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 8.36 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 14.3 m -100.17 -26.27 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -4.61 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.614 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -144.28 56.55 4.18 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.95 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 0.5 OUTLIER 73.66 20.87 2.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 86.8 -145.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -115.27 41.54 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.404 ' OD1' ' OE1' ' A' ' 488' ' ' GLU . 0.4 OUTLIER -151.19 38.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -169.02 134.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 466' ' ' THR . 0.5 OUTLIER -78.47 110.14 13.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 134.35 47.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.342 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 10.8 mt -134.09 95.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -65.58 125.43 25.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -124.69 -172.71 2.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.66 114.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.59 27.29 0.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.62 158.25 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.614 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -142.24 160.55 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.475 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -141.16 134.64 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.8 OUTLIER -114.98 121.69 43.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.06 115.67 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -173.35 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 58.7 mtp -83.19 152.25 64.57 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 55.48 3.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.7 -43.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 28.1 m-85 -112.72 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 489' ' ' VAL . 2.0 tt0 -158.14 -178.33 7.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.149 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.71 -171.4 13.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.525 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -70.41 -34.44 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.525 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.83 6.59 27.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 52.1 m 44.2 47.25 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 4.3 tp10 -127.58 -1.33 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.475 ' HA ' ' CG2' ' A' ' 509' ' ' ILE . 0.8 OUTLIER -90.94 117.19 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.558 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 5.2 p30 -71.33 90.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 490' ' ' ASN . 8.8 t 48.53 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -95.8 159.77 14.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 109.238 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.7 pm0 -146.2 22.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.5 p -95.34 12.86 27.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.33 -14.3 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 44.5 m -103.93 24.96 10.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.543 ' OG ' ' CE2' ' A' ' 512' ' ' PHE . 1.3 p -166.5 90.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 500' ' ' LEU . 17.9 Cg_endo -75.01 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.439 ' CB ' ' HA3' ' A' ' 503' ' ' GLY . 19.9 m 77.52 -48.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 498' ' ' PRO . 5.2 tp 69.66 170.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 29.2 m170 67.39 -110.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.486 ' O ' ' CD ' ' A' ' 517' ' ' PRO . 7.0 m-20 -106.02 -20.04 13.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 502' ' ' ASN . . . -32.99 111.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.03 115.83 26.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 7.3 p -77.85 141.75 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 108.21 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.3 tp -103.79 132.87 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.432 ' OD2' ' CG2' ' A' ' 489' ' ' VAL . 0.7 OUTLIER -81.81 100.57 9.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -111.4 154.13 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 3.9 pt -81.69 63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.372 1.045 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.84 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.37 -165.32 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 2.4 p90 -116.5 144.69 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -115.41 109.52 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.15 97.55 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 108.353 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.29 171.73 7.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 32.5 t -111.11 116.13 51.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 108.245 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.486 ' CD ' ' O ' ' A' ' 502' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . 0.553 ' HD2' ' N ' ' A' ' 413' ' ' VAL . 13.0 t70 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.553 ' N ' ' HD2' ' A' ' 412' ' ' ASP . 0.3 OUTLIER -82.14 145.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 30.3 t0 -90.27 81.05 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.0 mp0 -54.71 -15.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.448 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -86.08 -21.17 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.241 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 414' ' ' ASP . 2.5 t -96.39 -15.46 21.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.496 ' CD1' HG12 ' A' ' 413' ' ' VAL . 1.0 OUTLIER -73.03 -90.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -153.85 22.57 0.7 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.8 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -114.75 105.5 53.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.509 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -36.05 2.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.7 m -43.78 -23.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 108.294 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.485 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.2 mm-40 69.5 -99.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.413 ' O ' ' CB ' ' A' ' 426' ' ' ALA . 9.0 m-70 -136.21 44.26 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.652 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 471' ' ' ILE . . . 169.47 97.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 157.67 174.39 27.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -104.87 138.78 40.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.356 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 429' ' ' CYS . 0.1 OUTLIER -121.95 119.78 32.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 108.211 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.537 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -122.05 169.68 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.412 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 42.6 t30 -108.14 135.12 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -127.41 165.14 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 123.71 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.48 -46.52 3.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.0 m -133.03 173.38 11.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 17.9 p90 -104.61 162.16 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.2 tt0 -125.01 145.29 49.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 2.2 t -142.41 130.19 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 428' ' ' LYS . 50.4 mt-30 -82.34 152.87 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 4.1 m -83.77 155.2 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 98.95 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 9.4 mm-40 65.49 -100.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -113.08 69.46 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.0 OUTLIER -101.94 159.5 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.969 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.6 t -103.91 -123.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.439 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.713 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.59 160.37 35.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.594 1.183 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -30.62 7.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -116.72 -3.69 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.3 t 97.01 68.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.395 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 448' ' ' ARG . 3.0 pm0 -161.42 23.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.794 ' O ' ' N ' ' A' ' 445' ' ' THR . 42.2 mm -128.11 149.06 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.7 t0 -100.47 122.76 43.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.5 p -99.67 170.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.552 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 44.8 t-20 -101.73 104.89 15.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 459' ' ' ASN . 4.5 pm0 -83.63 -12.57 55.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.92 1.23 57.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 108.361 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -72.6 -60.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.532 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.2 OUTLIER -93.3 3.09 56.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.654 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.08 51.49 2.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.654 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.95 1.02 8.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 1.1 m 72.72 19.13 4.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 2.7 tt0 86.06 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -99.81 -26.12 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.62 50.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 476' ' ' CYS . . . -179.54 125.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 16.0 m -79.21 107.88 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 110.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 133.23 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.4 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 1.6 mt -128.12 71.43 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.05 120.09 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -131.93 -176.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -54.36 118.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 33.71 38.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.86 154.51 11.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.81 160.3 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.507 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 3.2 mm100 -135.13 167.17 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 465' ' ' ALA . 13.5 p -154.86 86.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.79 114.08 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 175.78 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 16.8 mtp -83.31 151.71 63.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.8 3.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -146.54 -43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 490' ' ' ASN . 60.0 m-85 -108.58 170.53 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 0.814 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.32 179.29 9.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.31 -175.14 16.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.564 1.165 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -67.79 -33.66 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.629 0.84 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.543 ' CD2' HG12 ' A' ' 485' ' ' VAL . 64.4 m170 -108.02 -5.2 17.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.567 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.58 40.99 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -119.18 -2.86 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.7 m -97.33 124.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 482' ' ' TYR . 28.8 t-20 -66.06 145.59 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.8 t -40.67 161.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -177.21 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.3 OUTLIER -158.08 25.34 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.46 41.79 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 108.342 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.09 61.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 496' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 497' ' ' SER . 1.5 m -125.06 51.55 1.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 1.084 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 496' ' ' SER . 0.3 OUTLIER 159.62 70.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.28 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 23.9 p -47.32 103.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.634 ' CD2' ' CD2' ' A' ' 501' ' ' HIS . 0.0 OUTLIER -141.64 22.62 2.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 500' ' ' LEU . 15.0 m-70 -119.25 -53.65 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -12.87 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -167.16 171.98 42.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.591 1.182 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -116.26 113.01 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.7 OUTLIER -61.61 113.34 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.386 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.17 131.44 46.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.07 95.16 10.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -91.5 156.67 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 56.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.19 -56.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -145.24 -163.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.452 ' HB3' ' CG ' ' A' ' 493' ' ' GLU . 12.2 p90 -121.5 139.14 53.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.97 108.86 9.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 4.6 t -77.6 105.88 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -163.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 2.0 t -98.42 140.18 21.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.288 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.362 1.248 0 O-C-N 124.368 1.72 . . . . 0.0 110.939 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 432' ' ' THR . 9.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -103.08 156.05 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.476 ' HD2' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.18 77.06 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.5 mp0 -54.45 -20.95 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.572 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.9 OUTLIER -77.77 -20.34 53.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 108.346 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 414' ' ' ASP . 47.2 t -96.86 -27.99 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -65.67 -78.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.78 30.81 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.37 81.04 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 424' ' ' GLU . 6.8 t30 -120.19 106.77 40.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.49 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -74.94 -30.96 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 98.7 m -48.83 -19.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.411 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.5 mm-40 69.15 -100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -132.17 37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 444' ' ' TYR . . . -178.09 94.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 1.187 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.495 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . 155.96 171.94 22.9 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.17 127.31 51.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 0.715 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.04 111.82 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.415 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -112.96 170.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 432' ' ' THR . 32.7 t-20 -108.24 136.52 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.69 163.85 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -70.79 122.84 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.26 -44.96 3.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 432' ' ' THR . 32.1 t -132.5 169.11 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.038 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.572 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 2.8 p90 -105.09 144.53 31.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.5 tt0 -107.77 144.77 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 11.8 t -143.52 125.52 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 428' ' ' LYS . 27.2 mt-30 -82.69 156.35 23.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.5 p -87.01 155.38 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 108.378 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.495 ' CD2' ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -116.7 134.1 55.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.434 ' NE2' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 52.15 -98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -130.75 73.67 0.46 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.9 m-85 -102.25 162.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.793 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.4 t -101.3 -124.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.477 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.04 157.58 11.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -22.57 14.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.434 1.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 17.8 mmt-85 -112.6 -6.23 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 88.1 56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.538 ' C ' HD11 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.44 6.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.837 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 0.6 OUTLIER -106.04 147.34 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.05 120.99 40.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.5 p -98.54 169.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.531 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 41.6 t-20 -100.87 101.68 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.561 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.3 pm0 -82.41 -10.5 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.3 OUTLIER -97.69 13.05 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -85.51 -59.19 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.523 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 3.4 m -93.58 7.41 44.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.707 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -142.32 48.33 1.07 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.3 Cg_endo -75.01 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 96.0 m 72.11 21.25 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.5 OUTLIER 80.47 -176.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -67.68 -43.97 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 465' ' ' ALA . 2.8 t70 -70.34 60.92 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 464' ' ' ASP . . . 164.29 113.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -75.75 107.26 7.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.43 147.33 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 1.045 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.514 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 45.4 mt -138.01 90.16 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.66 120.75 13.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.227 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -124.07 -178.84 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -56.54 120.28 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 34.34 40.96 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.485 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.24 167.09 18.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 0.82 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.561 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.5 OUTLIER -141.13 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.75 ' NE2' ' H ' ' A' ' 476' ' ' CYS . 0.6 OUTLIER -133.31 176.19 8.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.75 ' H ' ' NE2' ' A' ' 475' ' ' GLN . 16.9 p -178.18 106.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 108.245 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 7.4 mm -69.86 159.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -111.53 155.64 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.207 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 10.5 mtt -98.0 148.64 34.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -179.53 -35.56 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -112.6 171.01 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.77 -177.94 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.31 -177.72 23.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.48 -20.68 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 485' ' ' VAL . 4.4 m-70 -104.58 8.74 35.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 63.0 m 42.69 31.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 108.294 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -125.39 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.4 t -89.25 102.68 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.204 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 491' ' ' THR . 3.0 p30 -64.13 90.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER 51.95 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.08 -171.98 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 512' ' ' PHE . 2.2 mp0 -156.57 38.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.41 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -166.78 49.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.22 62.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.7 m -108.62 23.99 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 1.8 m -140.96 87.5 10.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.5 Cg_endo -75.07 -13.17 21.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 12.3 m 70.86 -54.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 498' ' ' PRO . 0.2 OUTLIER 79.4 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.376 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -69.54 -4.88 20.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -73.0 -13.79 61.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.441 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 155.75 -165.83 32.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.477 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -126.38 142.6 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 4.1 m -87.25 122.04 30.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.31 131.2 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.68 90.44 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -94.37 147.24 23.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.403 ' CD1' ' OE2' ' A' ' 488' ' ' GLU . 3.0 mp -80.36 53.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.63 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.13 -167.61 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.0 OUTLIER -118.89 145.04 46.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.36 116.3 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 512' ' ' PHE . 7.6 t -87.93 73.36 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.317 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.477 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -44.95 170.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.382 1.051 . . . . 0.0 110.237 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.75 140.01 21.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 108.265 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.441 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.43 1.752 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 13.8 t70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.36 146.61 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -91.68 78.51 5.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.605 1.191 . . . . 0.0 109.275 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.492 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.6 mp0 -54.72 -16.78 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -83.07 -20.83 34.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.4 t -97.82 -18.98 18.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -72.16 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.83 24.05 0.41 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.05 80.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.422 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.2 t30 -118.36 105.7 45.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.522 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.96 -41.47 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.0 m -46.65 -22.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 108.282 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 9.1 mt-10 77.39 -71.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 424' ' ' GLU . 23.2 m-70 -155.32 -42.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.518 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.562 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . -93.94 81.96 4.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 175.46 176.63 43.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.569 1.168 . . . . 0.0 111.029 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.86 121.17 44.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.422 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -111.25 115.1 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.578 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -116.6 169.85 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.2 t30 -107.25 137.15 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.57 167.98 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.02 124.18 25.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.96 3.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.9 m -132.83 172.66 12.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.541 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 15.3 p90 -106.0 144.95 32.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -108.24 142.85 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 22.9 t -142.8 124.3 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 428' ' ' LYS . 15.9 mt-30 -82.1 155.61 24.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.437 1.086 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 155.88 19.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.583 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.42 127.27 53.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.583 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.6 OUTLIER 42.42 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 441' ' ' LEU . . . -120.97 73.8 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 426' ' ' ALA . 1.2 m-85 -102.67 161.11 14.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.878 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.3 t -102.6 -122.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.792 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 78.96 155.74 9.21 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . 0.565 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -74.99 -23.1 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 42.9 mmm-85 -114.81 -2.24 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 85.87 61.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.522 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -154.33 21.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.878 ' O ' ' N ' ' A' ' 445' ' ' THR . 2.8 mp -125.66 144.68 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.45 123.16 40.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.9 OUTLIER -99.49 160.93 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.587 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 59.2 t-20 -101.09 91.5 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.53 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.7 pm0 -62.72 -12.01 21.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -0.48 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 108.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.587 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 29.1 m -78.74 -30.47 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 -6.62 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.526 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -146.3 58.98 5.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.09 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 92.3 m 72.15 20.14 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.301 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 464' ' ' ASP . 0.4 OUTLIER 78.19 -157.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 110.239 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.03 -34.47 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.457 ' OD1' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -55.35 -25.82 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 461' ' ' CYS . . . -112.49 123.15 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 15.6 m -69.87 110.44 4.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 147.76 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 9.5 mt -154.95 80.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.39 127.1 30.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.397 1.061 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -122.95 179.0 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -62.84 123.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.608 1.193 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.65 28.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.49 156.75 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.84 148.5 38.92 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.586 1.179 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.43 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -134.39 154.89 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.82 124.7 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 2.1 mm -78.21 113.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.73 -177.59 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 6.5 mmt -83.91 148.7 54.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 54.87 3.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -174.13 -41.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -103.73 121.23 42.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.61 0.829 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.589 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 3.6 tt0 -160.23 176.77 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.06 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 151.09 -162.11 29.33 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.581 1.176 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -57.24 -29.83 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.555 ' CD2' HG11 ' A' ' 485' ' ' VAL . 24.7 m170 -108.55 -12.47 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.666 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 77.57 12.7 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.434 ' HG2' ' NE2' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -124.6 28.33 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 77.6 t -108.66 130.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 491' ' ' THR . 19.5 t-20 -63.36 132.02 50.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 490' ' ' ASN . 4.5 t -39.42 160.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.06 170.39 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.54 30.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 53.5 m -107.54 -26.41 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.74 62.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.9 m -134.68 55.07 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 78.8 p -179.03 85.42 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -75.0 78.63 2.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.12 -3.34 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 498' ' ' PRO . 1.4 tp 46.28 -156.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.338 1.024 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.59 19.75 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -102.37 3.69 38.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 515' ' ' GLU . . . 171.77 172.33 37.66 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.584 1.178 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.472 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 26.1 mmt85 -125.06 113.85 18.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.3 114.18 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 108.352 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.6 136.15 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.8 83.82 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -85.08 159.42 20.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.85 64.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 172.42 -35.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -172.17 178.76 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -105.09 144.68 31.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -128.63 122.17 30.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 512' ' ' PHE . 16.9 t -91.96 98.93 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 108.299 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 3.2 pt-20 -83.13 -173.19 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 148.93 35.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.499 ' CG1' ' OE1' ' A' ' 415' ' ' GLU . 3.6 p -87.86 150.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.44 ' HD2' ' N ' ' A' ' 417' ' ' SER . 31.7 t0 -85.76 76.62 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.499 ' OE1' ' CG1' ' A' ' 413' ' ' VAL . 1.6 mp0 -59.29 -13.33 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -14.58 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.36 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.44 ' N ' ' HD2' ' A' ' 414' ' ' ASP . 0.3 OUTLIER -113.57 -13.03 12.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 8.4 mt -73.32 -89.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -147.78 17.17 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.86 83.57 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.799 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.41 ' CG ' ' SG ' ' A' ' 429' ' ' CYS . 0.2 OUTLIER -116.79 108.3 44.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.509 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.06 -39.63 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 6.1 m -44.76 -24.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.251 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER 72.38 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 4.3 p80 -144.84 34.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 471' ' ' ILE . . . 179.41 101.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.27 23.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -97.52 126.58 42.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.41 ' SG ' ' CG ' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -113.01 110.72 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.269 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -114.34 168.86 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 432' ' ' THR . 13.6 t30 -108.61 135.2 50.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.35 163.31 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.447 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.92 122.54 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.36 -44.79 3.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.7 m -133.33 168.75 18.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.404 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 19.6 p90 -101.33 147.86 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.463 ' N ' ' HG1' ' A' ' 432' ' ' THR . 2.8 tt0 -113.3 145.36 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 7.9 t -142.69 125.99 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.364 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.83 154.7 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.449 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.6 m -85.58 165.84 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.724 ' CD1' ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -149.32 143.59 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.462 ' NE2' ' N ' ' A' ' 442' ' ' GLN . 0.0 OUTLIER 54.5 -98.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.54 72.15 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.592 1.182 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.724 ' CD1' ' CD1' ' A' ' 441' ' ' LEU . 1.7 m-85 -102.25 159.73 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.87 ' N ' ' O ' ' A' ' 451' ' ' ILE . 1.4 t -104.06 -117.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.898 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 85.67 161.15 34.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -35.5 3.05 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.608 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -109.61 -5.22 15.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.374 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.608 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 2.4 t 96.62 71.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.583 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 1.3 pm0 -166.16 26.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.898 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 1.9 mp -130.18 145.97 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -98.7 129.42 45.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.406 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.2 OUTLIER -97.37 163.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.612 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 35.9 t-20 -102.01 95.14 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 19.2 mp0 -60.72 -9.81 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 10.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.612 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 24.2 m -86.22 -32.15 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 74.3 m -115.61 -2.15 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -145.73 57.99 4.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.08 -6.02 17.48 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.0 OUTLIER 73.11 22.48 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 488' ' ' GLU . 2.9 pt20 43.39 -147.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.9 m-80 -99.1 41.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.92 25.74 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.541 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . 179.2 145.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -82.36 109.33 16.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.84 146.2 50.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 108.291 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 475' ' ' GLN . 10.1 mt -160.9 88.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.587 1.179 . . . . 0.0 109.22 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.61 138.84 57.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -125.86 -169.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.545 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -71.03 119.98 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.99 22.28 0.3 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.2 OUTLIER -168.5 153.23 6.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.753 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 9.4 p90 -124.06 161.15 26.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -140.83 136.97 32.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 14.3 p -128.15 112.43 14.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 17.4 mm -79.42 119.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -177.42 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 11.2 mmt -85.21 148.01 49.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 54.64 3.71 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -147.46 -40.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -101.95 171.28 7.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.514 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -154.08 -176.95 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 105.43 -173.86 20.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -79.43 -24.21 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.428 ' CD2' HG13 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -99.45 -7.87 25.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.6 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 22.3 m 60.85 15.21 5.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.45 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -107.49 6.53 28.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.5 t -88.39 104.81 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.23 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 491' ' ' THR . 17.2 t-20 -67.14 143.31 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 490' ' ' ASN . 13.7 t -38.46 157.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.33 150.36 24.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -138.54 24.5 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.42 -10.53 55.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.67 -14.89 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.3 m -109.22 97.61 7.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 4.6 m 63.6 91.56 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.216 . . . . 0.0 110.023 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.03 -22.2 14.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 40.13 57.39 2.41 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 0.9 OUTLIER -87.57 161.84 17.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 32.1 m170 69.76 -58.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 109.646 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 500' ' ' LEU . 12.7 p30 -85.31 4.03 36.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . 172.5 178.88 42.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 116.9 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.77 114.4 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.01 131.35 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.24 92.62 7.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -96.98 165.68 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.27 -65.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -47.74 -69.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -160.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -104.71 144.76 31.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.89 117.13 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.16 97.72 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -66.63 -176.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.38 142.49 24.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 501' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.586 1.835 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.71 151.18 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.489 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 18.0 t0 -87.75 78.26 8.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.503 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mt-10 -55.05 -14.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.08 24.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 108.254 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 20.0 t -76.28 -30.58 57.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 415' ' ' GLU . 2.7 mt -46.84 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 176.01 33.08 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.96 89.53 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.44 118.2 66.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.382 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 438' ' ' CYS . 18.2 Cg_endo -74.92 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 71.9 m -59.76 -12.34 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 423' ' ' CYS . 2.3 mt-10 84.05 -66.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -161.03 -41.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 471' ' ' ILE . . . -86.01 76.95 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . 173.68 -179.02 45.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -114.79 131.72 56.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 0.82 . . . . 0.0 109.211 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.413 ' SG ' ' HD2' ' A' ' 422' ' ' PRO . 0.3 OUTLIER -111.34 122.89 49.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 108.346 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -122.05 171.17 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 432' ' ' THR . 12.6 t30 -107.48 134.21 50.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -123.05 171.05 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.89 122.2 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.95 -44.67 3.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 6.3 m -132.59 174.47 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -104.46 146.14 29.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.193 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 430' ' ' ILE . 8.5 tt0 -113.88 150.69 33.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 3.5 t -144.18 125.37 14.6 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 428' ' ' LYS . 44.3 mt-30 -70.81 149.51 46.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.9 m -82.5 158.45 23.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.554 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.1 OUTLIER -119.19 104.43 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.554 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 69.29 -94.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 110.245 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -128.33 76.35 0.41 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.9 m-85 -103.9 160.91 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.91 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.1 t -102.47 -121.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.786 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.44 162.63 37.28 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -30.64 6.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.633 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 31.2 mmm180 -116.67 -6.8 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.633 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.7 t 100.27 71.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.182 . . . . 0.0 108.301 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 451' ' ' ILE . 2.9 pm0 -163.03 21.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.91 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.8 mp -128.76 146.8 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 18.8 t70 -97.69 125.18 42.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.9 p -97.84 168.82 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.522 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 34.6 t-20 -101.9 105.83 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.522 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.3 pm0 -85.82 -16.85 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.77 10.56 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -76.44 -57.2 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.535 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 8.8 t -90.58 3.27 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.683 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.59 49.96 1.92 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.683 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.97 4.98 4.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.406 1.74 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.517 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 80.17 21.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 486' ' ' HIS . 28.1 mt-30 69.03 -112.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -137.11 13.4 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.386 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.432 ' OD2' ' CD ' ' A' ' 488' ' ' GLU . 0.0 OUTLIER -118.37 43.65 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . 169.83 149.69 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.0 m -97.71 108.95 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -70.39 133.29 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 108.359 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 475' ' ' GLN . 11.8 mt -126.46 88.04 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.01 121.07 13.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.79 -171.33 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.27 123.31 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 40.83 25.91 0.13 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -166.64 154.11 9.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.522 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.1 OUTLIER -142.89 151.69 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' LEU . 6.4 pt20 -144.08 134.77 24.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.9 OUTLIER -109.71 126.47 53.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 477' ' ' ILE . 1.8 mp -87.49 109.7 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -176.74 3.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 19.5 mmt -84.28 151.84 60.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.02 4.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.76 -43.58 0.03 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -108.88 170.47 8.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -157.29 -179.96 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.41 -163.22 12.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -36.85 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.479 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -107.5 9.9 29.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 98.4 m 41.22 50.41 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.432 ' CD ' ' OD2' ' A' ' 464' ' ' ASP . 3.7 tp10 -126.73 0.65 6.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.651 1.219 . . . . 0.0 110.28 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.8 OUTLIER -90.09 129.63 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 491' ' ' THR . 14.1 p30 -75.3 92.5 2.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.385 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 490' ' ' ASN . 89.0 m 53.59 168.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 493' ' ' GLU . 0.6 OUTLIER -89.71 166.65 13.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 36.7 mp0 -148.82 30.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -140.47 31.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.24 -15.14 61.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -41.58 8.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.09 102.24 45.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.933 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.08 -12.67 21.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 77.4 m 70.98 -54.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.365 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 498' ' ' PRO . 0.2 OUTLIER 78.96 -157.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -81.54 5.37 18.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.659 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.29 2.15 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 500' ' ' LEU . . . 175.0 159.74 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.475 ' HB3' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -116.04 113.77 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.1 OUTLIER -78.64 104.65 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.245 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' ' CD2' ' A' ' 512' ' ' PHE . 1.4 mp -78.29 144.17 36.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.43 ' CG ' ' CE1' ' A' ' 512' ' ' PHE . 14.1 t0 -105.25 81.67 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -82.98 161.68 21.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 0.3 OUTLIER -82.38 71.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.4 OUTLIER 163.98 -40.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.5 175.43 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.238 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 494' ' ' CYS . 0.7 OUTLIER -104.22 145.23 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.32 108.89 10.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 5.1 t -75.98 106.38 7.54 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 504' ' ' ARG . 3.3 pt-20 -92.44 -162.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.54 142.2 24.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.536 1.809 . . . . 0.0 110.954 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 13.6 t70 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.43 HG13 ' OE1' ' A' ' 415' ' ' GLU . 0.5 OUTLIER -90.54 155.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -87.99 77.14 8.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.0 mp0 -58.44 -15.77 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.13 -19.03 44.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.7 t -104.27 -20.35 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -68.75 -81.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -160.46 25.23 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.35 77.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.414 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t30 -116.0 106.07 50.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.482 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.3 Cg_endo -74.99 -40.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 84.0 m -50.47 -18.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.306 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.7 mt-10 77.59 -75.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.551 ' CE1' HG21 ' A' ' 471' ' ' ILE . 1.5 p80 -143.04 -43.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.422 ' O ' HD13 ' A' ' 441' ' ' LEU . . . -97.82 108.12 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.11 169.88 19.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -103.47 121.14 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.414 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -111.56 115.42 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 108.286 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.585 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.38 170.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.372 1.045 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 432' ' ' THR . 9.6 t30 -106.14 132.26 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -122.5 169.3 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.94 121.39 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.231 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.02 -43.77 3.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 432' ' ' THR . 11.1 m -132.86 168.24 18.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -101.6 144.94 29.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.9 tt0 -108.62 144.6 36.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 19.0 t -142.26 125.35 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' A' ' 428' ' ' LYS . 5.8 mt-30 -86.69 160.64 18.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.8 m -84.24 174.64 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.6 HD13 ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -155.8 126.59 6.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.415 ' NE2' HD22 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 67.26 -98.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -142.18 71.21 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.6 ' CE1' HD13 ' A' ' 441' ' ' LEU . 2.5 m-85 -104.59 160.64 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.807 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.4 t -103.32 -121.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.752 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.13 155.61 19.48 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.27 9.28 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.396 1.735 . . . . 0.0 110.965 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.6 mmt180 -109.72 -6.63 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.0 OUTLIER 92.76 60.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 108.264 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.493 ' OE1' HG12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -158.08 24.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.807 ' O ' ' N ' ' A' ' 445' ' ' THR . 32.8 mm -124.42 147.88 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.0 122.48 42.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.22 166.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.502 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 49.7 t-20 -102.24 109.45 21.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.2 pm0 -86.53 -19.49 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 3.0 p -87.13 8.34 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -73.64 -57.8 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.539 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.4 OUTLIER -95.85 4.87 52.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.672 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.51 50.38 1.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -74.97 4.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 1.0 OUTLIER 73.31 20.1 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.369 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 488' ' ' GLU . 0.5 OUTLIER 78.12 -173.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.24 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -68.29 -42.45 79.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 465' ' ' ALA . 1.9 t70 -73.63 64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 464' ' ' ASP . . . 163.35 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.3 m -86.09 122.55 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 123.44 28.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.36 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.19 79.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 120.9 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.5 -177.0 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.92 122.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.414 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.74 28.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.571 1.17 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -165.84 154.99 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.16 154.91 45.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -143.82 134.42 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 17.7 p -115.97 133.46 56.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.328 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.46 157.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.55 166.2 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 3.5 mmt -112.94 150.11 42.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.32 5.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -168.77 -40.67 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.577 1.173 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 34.1 m-85 -120.22 170.29 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.37 -179.06 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.64 -161.29 12.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.709 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -80.55 -34.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.709 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 9.8 m170 -107.4 -5.7 17.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.553 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.438 ' HA ' ' C ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 59.87 34.35 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.257 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 509' ' ' ILE . 40.2 tp10 -103.61 -3.58 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.517 ' HA ' ' CG2' ' A' ' 509' ' ' ILE . 0.7 OUTLIER -88.7 117.2 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.577 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 18.5 p30 -77.27 89.54 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.526 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.7 OUTLIER 40.36 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 491' ' ' THR . 1.0 OUTLIER -72.48 175.76 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -134.5 27.81 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.01 32.98 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.632 1.208 . . . . 0.0 108.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.91 -14.08 61.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.2 m -95.31 -63.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.78 93.11 36.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.98 89.35 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.4 m -68.33 58.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 501' ' ' HIS . 0.0 OUTLIER -100.87 113.44 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.624 ' CG ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m170 157.14 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -102.52 4.28 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.361 1.038 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -140.39 157.75 25.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.86 113.33 20.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 514' ' ' CYS . 1.7 m -72.03 110.46 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.47 131.43 35.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.18 91.6 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -107.92 139.56 42.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.517 ' CG2' ' HA ' ' A' ' 489' ' ' VAL . 2.4 pp -48.39 108.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.461 ' CA ' ' OE1' ' A' ' 493' ' ' GLU . 23.0 m-20 54.49 58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 510' ' ' ASN . 2.1 mt-10 164.9 137.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 13.1 p90 -121.55 145.16 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.42 108.52 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 29.4 m -82.24 67.21 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.408 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.2 OUTLIER -68.09 -147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -98.7 142.47 24.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.49 148.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 14.8 t0 -89.16 78.74 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.449 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mp0 -57.33 -10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -92.74 -18.08 23.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 108.338 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 9.1 t -83.14 -27.8 29.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.373 1.045 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 415' ' ' GLU . 5.2 mt -40.64 -50.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 143.51 -13.66 2.25 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -88.69 77.82 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.402 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.6 t30 -81.95 115.1 55.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.58 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.98 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.56 1.821 . . . . 0.0 111.068 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HB3' ' HA3' ' A' ' 427' ' ' GLY . 3.2 m -45.71 -20.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 425' ' ' HIS . 15.7 mt-10 85.89 -72.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 424' ' ' GLU . 60.6 m-70 -159.98 -40.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.478 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -95.77 81.73 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 172.6 172.66 38.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -110.38 140.21 44.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.402 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -116.52 108.62 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 108.286 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.577 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.2 171.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.2 t30 -105.16 137.45 42.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.493 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -128.02 173.75 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.48 122.52 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 80.86 -45.23 3.12 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.3 m -133.32 174.03 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 52.5 p90 -100.07 154.14 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.509 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 7.6 tt0 -114.88 149.51 37.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.0 t -137.99 134.05 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 78.0 mt-30 -79.23 143.2 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.56 138.66 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 108.365 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 442' ' ' GLN . 0.1 OUTLIER -107.86 100.64 9.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 472' ' ' GLY . 0.0 OUTLIER 69.95 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -131.83 76.29 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 0.4 OUTLIER -102.4 161.26 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 111.083 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.82 ' N ' ' O ' ' A' ' 451' ' ' ILE . 5.0 t -104.58 -130.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.82 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.03 159.17 28.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 19.7 mmm180 -119.1 7.25 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 82.71 59.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -146.31 12.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.82 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.6 mp -124.8 136.81 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 7.9 t0 -95.48 128.63 42.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.513 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 2.2 p -96.31 169.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.663 1.227 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.513 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 22.6 t-20 -101.57 104.18 15.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 10.8 pm0 -84.18 -14.34 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.4 t -90.52 6.97 41.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 108.349 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -77.36 -59.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.516 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 13.6 m -96.34 5.29 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.681 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.5 50.27 2.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.92 3.05 5.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 486' ' ' HIS . 1.3 m 72.26 21.43 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.581 1.176 . . . . 0.0 108.373 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 13.1 mt-30 78.91 -156.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -94.83 -16.3 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.79 45.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -179.31 124.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -68.41 109.46 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.03 129.76 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 108.236 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 13.4 mt -143.9 81.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.204 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 455' ' ' GLU . 5.2 t70 -67.35 127.08 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -117.19 -175.18 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.42 122.65 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 40.94 25.63 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -166.35 154.72 10.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.61 151.86 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.95 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.708 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -136.99 141.42 42.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 4.9 p -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.708 ' N ' HE22 ' A' ' 475' ' ' GLN . 2.7 mm -68.74 157.18 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.266 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.27 167.15 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 44.4 mtp -106.25 151.43 40.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 60.19 5.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.49 -39.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 482' ' ' TYR . 7.0 m-85 -125.04 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 489' ' ' VAL . 3.5 tt0 -146.01 -178.92 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.69 -154.77 17.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.093 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.532 HG11 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -78.95 -38.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.561 0.801 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 461' ' ' CYS . 61.3 m170 -106.28 -0.31 24.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 m 52.23 51.85 15.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.61 1.194 . . . . 0.0 108.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -131.55 4.01 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -89.89 129.79 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.628 1.205 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.4 p30 -67.95 91.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.4 OUTLIER 52.87 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.26 162.95 22.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.449 ' CB ' ' HB2' ' A' ' 512' ' ' PHE . 1.5 mp0 -143.46 28.66 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.5 t -87.84 -11.25 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.95 71.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 496' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 497' ' ' SER . 0.6 OUTLIER -86.89 109.43 19.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 496' ' ' SER . 62.1 p 38.57 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.408 ' C ' ' SG ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 503' ' ' GLY . 0.5 OUTLIER 43.14 58.58 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 502' ' ' ASN . 33.7 mt -63.9 144.77 56.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.409 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.7 m-70 69.85 -59.34 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 500' ' ' LEU . 4.6 m120 -71.05 -6.44 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . -171.73 158.37 29.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -113.99 125.87 54.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.53 139.74 57.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 513' ' ' GLN . 4.8 tp -125.77 131.44 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -97.81 97.54 9.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -107.68 156.34 19.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 489' ' ' VAL . 3.7 pt -88.3 65.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.87 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -171.22 -165.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -115.52 145.14 42.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -116.75 131.18 57.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 44.5 t -95.87 86.65 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 504' ' ' ARG . 2.8 mm-40 -48.95 165.18 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 p -111.9 134.22 21.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.085 0 O-C-N 124.523 1.802 . . . . 0.0 111.058 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.23 158.22 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 417' ' ' SER . 45.6 t0 -89.03 79.69 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.511 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.2 mp0 -52.77 -17.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.426 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -85.89 -23.9 26.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 414' ' ' ASP . 25.5 t -74.06 -28.11 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.511 ' HG ' ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -53.52 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -172.2 26.83 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.47 89.66 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.386 0.698 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.426 ' OD1' ' SG ' ' A' ' 416' ' ' CYS . 1.6 t30 -114.92 105.09 53.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 17.9 Cg_endo -75.1 -38.96 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.561 1.821 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 30.1 m -49.51 -19.98 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 108.358 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 5.8 mm-40 68.38 -108.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.527 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 0.7 OUTLIER -124.29 11.69 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.528 ' O ' ' CE2' ' A' ' 444' ' ' TYR . . . -149.9 91.92 1.84 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.597 1.186 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.72 177.59 38.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.117 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.2 OUTLIER -117.73 111.43 19.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.384 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 115.34 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 108.317 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -117.2 169.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 432' ' ' THR . 7.1 t30 -105.03 134.29 48.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -123.82 171.9 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.31 122.35 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.61 -45.3 3.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.6 m -130.58 172.85 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -105.65 138.31 42.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 430' ' ' ILE . 7.8 tt0 -102.28 145.07 29.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.7 t -143.19 123.96 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 108.287 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 428' ' ' LYS . 26.9 mt-30 -78.28 159.21 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 158.36 15.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.37 111.45 23.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 54.83 -103.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -109.43 69.78 0.21 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 0.6 OUTLIER -100.54 158.36 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.353 0.678 . . . . 0.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.796 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -103.06 -124.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.801 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.92 157.69 14.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.82 9.74 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.819 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 10.1 mmt180 -107.43 -9.93 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.6 t 93.33 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.543 ' OE1' HG12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -148.86 12.1 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.801 ' HB ' ' N ' ' A' ' 446' ' ' GLY . 5.9 mm -110.57 148.62 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.578 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -101.55 120.18 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.28 164.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.392 1.058 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.556 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 62.2 t-20 -101.47 90.95 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.512 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.7 pm0 -61.48 -13.21 19.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -2.13 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 19.4 m -83.38 -26.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 -4.74 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -149.26 58.76 3.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.91 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.593 1.838 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.38 18.29 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.355 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER 83.21 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -77.61 -38.15 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 57.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -179.79 128.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 48.1 m -80.01 110.59 15.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 131.26 43.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.417 ' CB ' ' HG2' ' A' ' 475' ' ' GLN . 6.2 mt -134.56 77.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' HB2' ' OD1' ' A' ' 454' ' ' ASN . 8.7 t0 -65.14 133.45 51.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -137.87 -171.61 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -52.73 116.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 29.81 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 471' ' ' ILE . 22.1 tt0 -162.67 154.83 18.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.75 143.82 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 468' ' ' LEU . 10.6 pt20 -131.09 134.79 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 23.0 p -117.41 117.86 30.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 478' ' ' CYS . 26.3 mm -81.58 141.05 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . 0.437 ' N ' HG23 ' A' ' 477' ' ' ILE . 47.4 m -101.25 151.08 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.374 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.8 151.7 55.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.13 3.77 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.505 1.792 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 174.48 -33.48 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -110.88 169.93 8.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -156.93 179.49 9.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.8 -168.56 12.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.475 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -106.22 11.31 31.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.626 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.1 m 42.38 50.75 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -128.26 2.22 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.392 1.058 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.86 129.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.413 ' ND2' HG13 ' A' ' 509' ' ' ILE . 13.5 t30 -73.19 129.61 38.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 7.9 t -83.11 144.39 29.9 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.88 147.36 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.0 OUTLIER -125.24 2.64 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 25.0 m -102.73 54.31 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 108.268 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.4 77.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 496' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' SER . 3.9 t -156.72 -138.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' SER . 0.4 OUTLIER 35.31 74.76 0.53 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 1.89 7.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 503' ' ' GLY . 2.7 m 56.46 40.2 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 501' ' ' HIS . 0.2 OUTLIER -49.58 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 82.6 -42.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.579 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.566 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 0.8 OUTLIER -67.92 -20.3 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.393 1.058 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . 144.61 -150.55 22.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 146.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 0.784 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 42.7 t -91.77 133.3 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 108.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.58 135.25 55.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -99.4 96.19 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 510' ' ' ASN . 31.3 mtpt -99.25 138.74 35.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.4 mp -63.43 79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.0 m-20 157.29 -39.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.06 170.83 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 493' ' ' GLU . 37.1 p90 -106.2 126.16 51.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.59 116.47 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.95 90.04 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 167.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.8 t -97.99 138.73 20.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.467 ' CG ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.61 146.22 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.0 78.35 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.3 mp0 -53.35 -19.41 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.445 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.4 OUTLIER -78.73 -23.43 45.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.5 t -98.52 -17.87 18.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 4.9 mt -76.11 -84.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -159.82 24.58 0.3 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.23 77.58 1.64 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.59 107.29 36.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.95 -32.7 5.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -41.91 -27.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.304 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 24.5 mt-10 85.34 -63.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.555 ' NE2' ' CG2' ' A' ' 471' ' ' ILE . 0.3 OUTLIER -161.13 -41.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.453 ' H ' ' CD2' ' A' ' 425' ' ' HIS . . . -106.32 105.4 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.416 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 160.78 164.13 15.15 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.623 1.202 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 439' ' ' GLN . 3.0 ttmt -92.78 129.3 38.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 0.695 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -118.64 121.75 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 108.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -120.26 169.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.9 t30 -109.3 136.39 48.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 0.0 109.229 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.46 170.42 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.348 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.25 123.1 25.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.38 -44.72 3.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.8 t -133.17 173.76 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.418 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 24.6 p90 -106.82 161.27 14.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -125.66 143.92 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 450' ' ' GLU . 46.1 t -142.25 125.06 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 428' ' ' LYS . 12.7 mt-30 -86.46 148.8 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 1.8 p -86.87 171.24 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 108.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.628 HD11 ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.79 149.46 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' A' ' 441' ' ' LEU . 0.9 OUTLIER 53.85 -100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -140.01 75.1 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.628 ' CD1' HD11 ' A' ' 441' ' ' LEU . 1.9 m-85 -103.16 161.67 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.903 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.2 t -102.45 -122.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.46 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.797 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 77.97 155.05 7.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -75.15 -21.51 15.52 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 16.2 mmt-85 -112.94 -8.55 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 90.73 56.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.464 ' HB3' ' SG ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -149.46 16.78 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.903 ' O ' ' N ' ' A' ' 445' ' ' THR . 3.2 mp -120.34 146.07 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.54 ' N ' HG23 ' A' ' 451' ' ' ILE . 14.5 t70 -98.97 124.6 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -98.5 165.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 1.6 t-20 -98.11 134.81 40.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.487 ' OE2' ' N ' ' A' ' 455' ' ' GLU . 2.4 pm0 -120.15 -8.51 9.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.8 p -105.75 3.91 29.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 108.191 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -78.94 -52.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.5 OUTLIER -98.93 -0.86 41.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -139.07 54.76 6.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.07 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.592 1.838 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 462' ' ' GLN . 9.6 m 80.36 1.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.58 ' O ' ' O ' ' A' ' 461' ' ' CYS . 1.6 pp0? 34.29 -162.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 0.0 OUTLIER 79.56 -40.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.5 OUTLIER 150.75 -19.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.234 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.481 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -40.49 136.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.2 m -82.8 109.2 16.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -69.14 121.75 17.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 14.1 mt -125.45 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.62 121.44 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.03 -179.05 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -69.91 117.58 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.14 1.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 470' ' ' GLN . 17.7 pt-20 -164.81 154.2 13.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -142.84 155.06 44.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.516 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.6 OUTLIER -144.6 138.35 27.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 466' ' ' THR . 25.8 p -117.82 122.52 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.254 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.516 ' N ' HE22 ' A' ' 475' ' ' GLN . 1.1 mm -85.5 110.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.07 169.25 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.379 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 28.1 mmt -83.1 151.35 63.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.06 4.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.28 -43.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -99.31 166.98 10.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 111.029 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.405 ' C ' ' HA ' ' A' ' 487' ' ' CYS . 0.3 OUTLIER -158.02 178.32 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 110.61 -174.45 17.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.591 1.182 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.559 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -69.84 -37.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.5 0.764 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.559 ' CD2' HG12 ' A' ' 485' ' ' VAL . 64.8 m170 -108.04 15.03 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 463' ' ' ASN . 1.8 t 42.14 43.23 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.383 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.52 0.02 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.89 127.69 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.41 ' CG ' ' OD1' ' A' ' 507' ' ' ASP . 36.0 t-20 -73.61 124.28 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 23.5 m -58.07 129.19 40.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -100.59 137.29 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -126.3 8.37 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.1 p -132.89 39.23 3.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.208 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.54 -23.23 66.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.18 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.1 t -134.5 53.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.3 m -167.24 70.21 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 1.02 8.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.6 OUTLIER 67.65 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 108.256 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 502' ' ' ASN . 13.6 mt 61.58 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.6 m-70 69.36 -58.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.4 OUTLIER -75.71 -20.48 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.504 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 148.94 -156.97 27.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -129.44 144.52 51.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 110.234 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.72 129.68 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.98 133.95 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.41 ' OD1' ' CG ' ' A' ' 490' ' ' ASN . 33.6 t70 -89.01 102.01 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 164.53 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 3.8 mt -83.55 66.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.393 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 6.5 t30 160.9 -39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.375 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -161.87 -170.12 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 512' ' ' PHE . 12.4 p90 -122.27 129.71 52.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.72 114.54 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.9 88.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 108.304 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 504' ' ' ARG . 0.7 OUTLIER -51.43 176.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -96.41 139.48 21.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.382 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.504 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.21 0 O-C-N 124.43 1.753 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.64 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 417' ' ' SER . 12.6 t0 -90.07 78.74 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.2 mp0 -54.27 -16.56 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.5 t -85.51 -23.61 27.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.35 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 414' ' ' ASP . 17.2 t -76.84 -32.52 57.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.372 1.045 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -64.23 -69.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -177.78 38.88 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -126.99 76.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 105.23 57.05 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.456 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -75.0 -37.21 2.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.412 ' CB ' ' HA3' ' A' ' 427' ' ' GLY . 0.0 OUTLIER -69.93 -3.34 15.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.123 . . . . 0.0 108.226 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 65.42 -100.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -118.5 -32.92 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -103.18 108.05 19.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 423' ' ' CYS . . . 148.17 165.95 12.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.422 1.076 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -96.65 137.99 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -129.43 120.44 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -121.93 169.29 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 432' ' ' THR . 5.3 t30 -101.43 130.18 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.447 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -118.63 172.22 7.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.75 121.81 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.5 -44.75 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.365 1.041 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 14.4 m -132.16 174.88 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 415' ' ' GLU . 12.7 p90 -102.71 153.82 19.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.7 tt0 -115.62 147.23 41.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 8.4 t -142.11 129.67 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 428' ' ' LYS . 24.2 mt-30 -88.28 154.19 20.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.4 m -84.17 164.58 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.7 ' CD1' ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -150.3 138.84 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.513 ' HG2' ' CD2' ' A' ' 441' ' ' LEU . 2.6 mm-40 60.51 -96.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.25 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -144.36 71.51 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.7 ' CD1' ' CD1' ' A' ' 441' ' ' LEU . 2.5 m-85 -103.37 158.46 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.905 ' N ' ' O ' ' A' ' 451' ' ' ILE . 1.3 t -105.88 -117.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.884 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.0 157.55 29.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.408 1.068 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -25.1 12.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 30.1 mmm180 -118.05 -6.52 10.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.2 t 96.57 68.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 108.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.616 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 1.1 pm0 -166.19 27.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.179 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.905 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.8 mp -131.21 147.02 32.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.565 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -96.68 128.75 43.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.512 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.77 163.3 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 44.3 t-20 -82.69 105.28 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 0.5 OUTLIER -79.47 -18.16 52.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -97.38 19.06 13.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 108.278 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.6 OUTLIER -90.29 -57.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.531 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.4 OUTLIER -93.51 2.83 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.91 52.59 3.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.9 OUTLIER 72.04 21.26 4.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.7 OUTLIER 81.95 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -80.71 -34.36 34.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.78 59.01 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . 173.07 130.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.8 m -83.41 111.16 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 110.356 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 141.45 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 12.6 mt -140.81 96.42 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.76 120.81 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -111.04 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.567 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.7 OUTLIER -75.79 112.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 53.61 18.33 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 7.1 pt-20 -165.05 159.84 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 459' ' ' ASN . 8.8 p90 -133.08 160.77 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.02 134.66 24.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 1.6 p -117.43 143.73 45.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 3.0 mm -96.85 141.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 80.5 m -101.49 147.42 26.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 108.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.02 152.51 42.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 83.23 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 172.86 -31.62 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 21.5 m-85 -121.57 171.13 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 0.82 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -144.91 -177.51 5.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.485 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 106.01 -177.56 22.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.62 -19.95 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 485' ' ' VAL . 18.3 m170 -107.55 9.34 29.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 3.3 m 43.37 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -117.49 5.62 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.485 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.9 t -89.15 102.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 1.5 p30 -64.44 90.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 52.63 165.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.4 ' OD2' ' SG ' ' A' ' 494' ' ' CYS . 24.2 t70 -84.35 143.83 29.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -5.52 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.4 ' SG ' ' OD2' ' A' ' 492' ' ' ASP . 1.5 p -118.44 38.32 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.9 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -75.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.92 104.54 18.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.03 -6.19 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER 39.97 57.48 2.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.39 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 502' ' ' ASN . 1.3 pt? -75.58 161.1 29.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.4 m-70 69.39 -59.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.666 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.9 t30 -81.31 -7.49 59.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.04 47.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.26 112.97 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.5 OUTLIER -76.02 121.37 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.2 mp -98.01 131.26 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.404 ' CG ' ' CG1' ' A' ' 489' ' ' VAL . 6.4 t0 -86.89 95.95 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -103.06 148.3 25.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 489' ' ' VAL . 1.6 pt -82.02 63.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.01 -35.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -163.64 -161.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 512' ' ' PHE . 2.3 p90 -130.37 145.02 51.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.075 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.1 OUTLIER -123.23 114.32 20.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.335 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 49.7 t -93.12 69.42 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.229 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.12 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 110.176 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.56 148.63 34.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 108.259 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.41 HG11 ' OE1' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -82.98 147.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.45 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 21.9 t0 -91.79 78.44 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.6 mp0 -55.84 -18.81 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.45 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -82.76 -15.75 50.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 108.279 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -109.79 -10.69 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.939 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.508 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.7 mt -73.86 -90.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.458 1.099 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.76 1.05 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.78 89.54 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -111.74 104.5 56.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.14 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.613 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.6 Cg_endo -74.96 -37.79 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.42 1.747 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.0 m -44.45 -24.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 6.7 mt-10 76.01 -70.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -151.95 -44.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -105.48 100.19 9.78 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 163.88 169.29 27.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.5 OUTLIER -102.31 137.79 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 0.717 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 428' ' ' LYS . 0.1 OUTLIER -121.66 119.11 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -122.85 169.11 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 20.5 t30 -108.94 134.87 51.03 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -125.99 163.86 22.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.381 1.05 . . . . 0.0 110.348 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.14 123.58 23.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.64 -45.09 3.33 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 432' ' ' THR . 13.4 t -133.22 170.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.613 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -104.6 155.02 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -120.31 143.23 48.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 1.9 t -143.44 126.37 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 428' ' ' LYS . 38.2 mt-30 -79.56 160.31 26.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.34 146.0 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.65 114.6 28.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.48 -93.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -135.56 77.27 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.594 1.184 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.8 m-85 -102.85 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.881 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -101.17 -123.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.831 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.46 165.65 39.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.055 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 5.2 mmt180 -113.33 0.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.7 OUTLIER 92.82 68.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 108.369 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.555 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 0.3 OUTLIER -157.23 17.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.881 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.9 mp -127.27 144.12 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 4.4 t0 -93.09 131.8 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.23 157.29 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 51.1 t30 -102.41 88.57 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 10.4 mp0 -55.58 -17.48 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.42 ' HB3' ' OD1' ' A' ' 454' ' ' ASN . 51.2 t -70.35 -6.38 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 108.368 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.561 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 12.6 m -89.17 -23.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.347 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 28.2 m -118.71 -2.82 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -154.99 60.77 2.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.02 -7.08 18.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.454 1.765 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.546 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.53 22.86 2.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.495 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 2.0 pt20 47.9 -147.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.495 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.6 m-80 -102.34 42.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 465' ' ' ALA . 19.8 m-20 -145.45 42.22 1.26 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.546 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . 168.18 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.5 m -69.51 108.59 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 146.31 44.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.437 ' HB2' ' HG3' ' A' ' 475' ' ' GLN . 8.2 mt -159.6 87.16 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.69 145.14 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -135.02 -172.68 3.11 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.69 120.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.68 24.13 0.14 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.115 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.24 154.35 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 455' ' ' GLU . 13.1 p90 -127.9 158.34 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.567 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -140.35 147.34 39.69 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.432 1.083 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.496 ' CA ' ' NE2' ' A' ' 475' ' ' GLN . 8.3 p -138.99 126.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.567 ' N ' HE22 ' A' ' 475' ' ' GLN . 4.9 mm -85.53 115.64 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -175.93 3.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 35.9 mtt -87.53 148.83 45.12 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.612 1.195 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.62 3.7 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -145.53 -42.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -104.55 171.19 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.989 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.553 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 1.7 tt0 -155.23 -175.5 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 108.3 -178.12 21.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.614 1.196 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.549 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -72.53 -23.94 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.428 0.722 . . . . 0.0 109.363 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.549 ' CD2' HG12 ' A' ' 485' ' ' VAL . 45.2 m170 -104.65 3.81 32.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.564 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.8 m 49.5 23.67 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.448 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -114.94 7.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.359 1.037 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.3 t -88.51 116.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.603 1.189 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 491' ' ' THR . 27.8 t-20 -67.11 143.71 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 490' ' ' ASN . 1.6 m -37.55 157.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 170.76 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.38 20.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 4.6 p -107.85 35.94 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.242 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.59 -17.13 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -69.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.47 96.26 39.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.33 10.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.69 74.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 108.203 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 502' ' ' ASN . 70.5 mt -95.23 162.97 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.8 m-70 69.14 -59.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.1 OUTLIER -84.67 -2.77 57.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -173.35 171.14 44.26 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -129.24 114.15 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 110.385 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.6 OUTLIER -74.0 121.24 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 131.76 46.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 490' ' ' ASN . 3.3 t0 -95.95 90.17 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -85.82 153.03 22.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.81 62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.608 1.192 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.4 t30 170.99 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 179.11 6.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.08 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -105.49 145.0 31.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.11 117.43 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.47 104.36 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.0 OUTLIER -90.84 -150.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -98.4 148.44 34.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.401 1.737 . . . . 0.0 111.035 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.59 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 417' ' ' SER . 21.1 t0 -91.25 79.64 5.66 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.4 mp0 -52.9 -18.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.2 t -84.19 -21.68 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 414' ' ' ASP . 9.3 t -82.17 -29.71 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.519 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -65.33 -70.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -176.25 34.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.23 75.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.18 104.2 52.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.488 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.99 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.611 1.848 . . . . 0.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.5 m -49.72 -18.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.233 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.488 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.7 mt-10 73.9 -63.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -166.32 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.579 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . -88.88 74.68 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 177.95 171.9 41.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.0 126.82 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 122.03 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.22 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -123.25 169.5 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 432' ' ' THR . 8.4 t30 -102.39 133.72 46.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.492 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -122.99 172.21 8.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.0 122.52 25.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.8 -44.79 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 7.1 m -132.79 173.32 11.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -102.25 152.23 21.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -113.94 144.5 42.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 24.0 t -143.71 124.93 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 428' ' ' LYS . 9.0 mt-30 -85.86 158.29 19.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 6.8 m -82.68 156.1 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.08 100.2 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 15.0 mm-40 66.97 -99.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -116.65 69.0 0.29 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.579 ' CZ ' ' O ' ' A' ' 426' ' ' ALA . 1.1 m-85 -101.86 159.38 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.775 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -104.14 -123.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.758 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.51 156.74 23.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -28.65 8.94 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.582 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 48.3 mmm-85 -110.01 -8.95 14.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.1 t 95.84 61.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.496 ' OE1' HG12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -156.31 21.68 0.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.625 1.203 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 445' ' ' THR . 27.8 mm -121.6 148.46 25.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.57 121.87 42.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.88 167.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.526 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 54.3 t-20 -102.06 108.61 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.4 pm0 -85.74 -17.84 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.17 . . . . 0.0 110.219 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.5 p -90.35 6.81 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -75.48 -58.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.533 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 1.0 OUTLIER -98.06 4.76 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.029 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.669 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -139.8 51.4 2.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.669 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -74.98 8.96 2.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 462' ' ' GLN . 0.8 OUTLIER 75.1 2.06 3.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.626 ' O ' ' O ' ' A' ' 461' ' ' CYS . 2.1 pp0? 34.61 -164.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 77.36 -44.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.9 OUTLIER 152.06 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.208 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.582 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -38.39 147.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.4 m -87.19 115.08 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 116.75 15.97 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 4.2 mt -116.16 82.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.203 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 119.39 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -118.12 -174.68 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.428 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.556 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -67.36 121.05 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 39.24 28.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 471' ' ' ILE . 3.9 pt-20 -165.18 152.71 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -144.03 157.08 44.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.472 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.0 pt20 -143.5 138.22 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.157 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.73 120.28 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 478' ' ' CYS . 35.6 mm -80.13 138.31 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 477' ' ' ILE . 67.9 m -101.88 148.33 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 479' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 482' ' ' TYR . 2.7 ptt? -83.73 151.96 62.26 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.22 5.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.491 1.785 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.04 -41.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.442 ' CD1' ' HE2' ' A' ' 479' ' ' MET . 48.6 m-85 -117.92 170.74 8.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 484' ' ' GLY . 0.0 OUTLIER -145.25 -179.26 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 483' ' ' GLU . . . 109.94 -165.58 12.37 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.428 1.08 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER -77.2 -36.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.491 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -108.94 13.51 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.637 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 486' ' ' HIS . 0.0 OUTLIER 41.31 49.93 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 108.268 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 13.1 tt0 -118.63 -4.17 10.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -89.21 121.83 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.9 p30 -64.49 91.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 490' ' ' ASN . 66.4 m 50.16 174.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.83 149.95 20.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 493' ' ' GLU . 12.4 pm0 -139.18 21.1 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 1.059 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 497' ' ' SER . 0.5 OUTLIER -129.39 30.35 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 108.339 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.15 -15.97 61.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 2.6 m -81.92 -67.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.417 ' O ' ' SG ' ' A' ' 494' ' ' CYS . 1.0 OUTLIER -114.56 97.78 47.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.6 Cg_endo -75.02 -3.99 14.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.403 1.739 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 39.61 62.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.343 1.027 . . . . 0.0 108.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.585 ' CD2' ' CG ' ' A' ' 501' ' ' HIS . 0.0 OUTLIER -89.01 162.61 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.585 ' CG ' ' CD2' ' A' ' 500' ' ' LEU . 28.2 m170 68.63 -59.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.5 m120 -69.61 -7.66 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.492 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 156.13 -162.92 31.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 515' ' ' GLU . 7.0 ttt180 -130.15 142.13 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 0.825 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.16 118.72 34.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.7 mp -92.93 131.54 37.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 91.31 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 513' ' ' GLN . 23.0 mtmt -89.75 164.48 14.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.0 pt -72.61 -23.92 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -85.87 -51.01 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.32 -152.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -124.08 143.81 50.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 508' ' ' LYS . 0.0 OUTLIER -133.02 130.25 39.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 31.6 m -90.11 82.15 6.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 504' ' ' ARG . 3.1 pt-20 -53.69 171.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.6 p -97.33 135.67 21.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.267 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.492 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -85.21 151.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.411 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 56.3 t0 -92.28 77.7 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.499 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.3 mp0 -55.85 -17.53 6.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -82.05 -16.92 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.9 t -103.88 -23.51 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -65.0 -79.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -169.53 29.12 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.18 79.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 0.823 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -111.01 104.48 56.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.484 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.2 Cg_endo -75.1 -27.03 10.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -73.85 47.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 108.281 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 423' ' ' CYS . 9.6 mm-40 27.24 -107.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -132.17 8.11 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.507 ' CB ' HG23 ' A' ' 471' ' ' ILE . . . -137.11 80.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . -179.82 -173.56 44.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -111.32 134.74 52.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.1 110.3 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.571 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.87 169.14 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.3 t30 -107.33 136.3 47.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.403 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.464 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.73 170.83 12.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.449 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.73 123.04 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.71 -44.81 3.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 432' ' ' THR . 9.0 t -133.34 172.9 12.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.494 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 10.6 p90 -105.27 152.52 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.6 tt0 -111.85 145.21 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 6.0 t -141.82 125.56 16.96 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.168 . . . . 0.0 108.396 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -84.37 153.89 23.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 6.1 m -83.52 148.13 27.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.538 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.43 104.15 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.538 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 68.14 -93.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.21 75.0 0.42 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.836 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.8 t -103.35 -122.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.088 . . . . 0.0 110.358 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.854 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.93 161.5 32.37 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.33 5.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 29.3 mmt-85 -110.64 -8.63 14.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.8 t 98.43 65.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.686 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 0.8 OUTLIER -156.84 19.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.854 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 1.6 mp -123.55 145.9 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -97.22 122.18 39.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.0 OUTLIER -99.12 166.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.63 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 58.5 t-20 -102.18 98.94 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.526 ' HE2' ' N ' ' A' ' 473' ' ' GLU . 2.6 pm0 -73.82 -2.69 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 2.5 t -89.24 3.28 52.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.63 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 5.1 m -77.85 -31.06 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 14.6 m -106.29 -10.06 16.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.544 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.3 OUTLIER -138.03 58.04 14.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -75.01 -6.27 17.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.1 OUTLIER 73.49 22.79 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.253 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 463' ' ' ASN . 0.8 OUTLIER -46.62 127.47 9.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.586 ' CB ' ' O ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER 148.34 -20.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 3.2 m-20 152.14 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.504 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . -70.98 160.56 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.1 m -105.27 110.12 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.35 150.5 18.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.4 mt -160.99 86.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.45 132.81 43.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.46 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -121.38 -177.03 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.29 126.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.94 27.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.526 ' N ' ' HE2' ' A' ' 455' ' ' GLU . 0.0 OUTLIER -165.72 166.56 17.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 0.715 . . . . 0.0 110.318 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.408 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.0 OUTLIER -141.67 155.58 45.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 16.5 p -148.79 126.53 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 39.5 mm -81.25 110.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.38 166.64 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 5.0 mmt -94.77 155.29 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.88 3.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -177.52 -34.7 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -94.02 171.59 8.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.459 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -154.45 179.52 8.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.527 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 111.21 179.91 20.07 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.66 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -79.74 -25.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.25 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.66 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 8.0 m80 -107.98 -4.23 18.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.556 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 59.4 m 71.64 6.01 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -92.0 17.09 9.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.218 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.527 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.5 t -110.38 105.27 18.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.422 ' CB ' ' HA ' ' A' ' 509' ' ' ILE . 22.9 t-20 -66.23 142.56 57.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 4.2 m -39.43 154.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 148.64 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.34 26.73 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.1 t -84.96 0.87 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.271 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.46 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 -54.61 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.401 1.063 . . . . 0.0 109.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 105.68 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.42 12.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.399 1.736 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.2 m 48.42 75.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.346 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -111.19 118.2 35.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.19 -45.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.99 -17.0 64.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.483 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 158.31 -160.31 30.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.94 140.59 52.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 0.774 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.98 118.2 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 108.265 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.16 151.6 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.35 89.59 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.74 156.85 23.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -73.45 71.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.9 m-20 156.42 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -159.13 -173.92 4.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -114.55 144.32 43.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.395 1.059 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.83 108.85 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.97 82.41 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.02 167.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.2 138.07 20.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.262 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.483 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.89 153.58 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 417' ' ' SER . 10.0 t0 -90.59 82.46 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.499 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.2 mp0 -50.76 -20.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.4 t -81.85 -22.58 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 414' ' ' ASP . 6.1 t -86.97 -25.92 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -68.41 -81.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.19 25.52 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.43 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.377 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -116.61 106.82 47.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.494 ' CG ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.04 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 3.4 m -46.85 -22.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.8 mt-10 66.81 -90.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.403 ' CE1' ' CG2' ' A' ' 471' ' ' ILE . 2.4 p80 -128.26 -39.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.594 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.462 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . . . -109.69 108.74 19.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.16 153.65 6.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -85.89 136.11 33.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.88 121.86 29.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -123.57 168.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -105.6 129.76 53.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -120.04 171.92 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.133 . . . . 0.0 110.494 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.42 122.17 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.94 -44.46 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.405 ' O ' ' OG1' ' A' ' 432' ' ' THR . 12.6 t -132.3 174.59 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.406 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 22.4 p90 -108.0 147.8 30.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.0 tt0 -107.42 145.62 32.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.479 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 27.0 t -142.87 127.75 18.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 108.197 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 428' ' ' LYS . 25.1 mt-30 -89.39 150.0 22.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.238 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.7 m -84.73 171.16 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.609 HD11 ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -154.08 128.56 9.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.415 ' NE2' HD22 ' A' ' 441' ' ' LEU . 0.4 OUTLIER 67.6 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 110.26 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -148.58 77.67 0.24 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.395 1.06 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.609 ' CD1' HD11 ' A' ' 441' ' ' LEU . 2.4 m-85 -104.11 161.77 13.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 451' ' ' ILE . 1.3 t -102.56 -120.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.75 161.95 34.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . 0.469 ' CD ' HD12 ' A' ' 451' ' ' ILE . 18.1 Cg_endo -75.07 -32.3 5.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -112.98 -7.33 13.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.629 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 99.05 69.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 448' ' ' ARG . 1.2 pm0 -162.48 23.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 445' ' ' THR . 2.2 mp -128.79 146.52 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.576 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -95.66 128.79 42.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.524 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.72 158.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 457' ' ' VAL . 41.6 t-20 -79.16 106.0 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.626 ' HE2' ' N ' ' A' ' 455' ' ' GLU . 0.4 OUTLIER -79.3 -19.55 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.5 OUTLIER -97.82 23.22 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 108.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -93.98 -57.17 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.527 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.2 OUTLIER -94.17 4.13 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.668 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.87 50.76 2.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.0 1.51 7.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.069 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.54 21.92 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 108.344 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.4 tt0 87.83 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -101.61 -27.22 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.77 62.26 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . 170.99 137.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 32.9 m -76.92 154.56 33.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.183 . . . . 0.0 110.443 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.95 128.21 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 31.4 mt -126.08 102.81 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.11 121.2 22.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.6 -172.89 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.83 117.05 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.63 23.34 0.33 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.5 154.81 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.766 . . . . 0.0 110.322 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.663 ' CE2' ' O ' ' A' ' 459' ' ' ASN . 0.7 OUTLIER -141.14 162.0 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.14 133.16 29.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 466' ' ' THR . 18.3 p -113.14 136.9 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 41.7 mm -93.53 119.43 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 7.4 m -101.73 164.12 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.287 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.7 mtp -84.69 152.83 60.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.53 5.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -158.72 -40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -116.87 171.41 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.538 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -152.37 -176.11 5.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 110.6 -176.45 18.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -22.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.0 OUTLIER -107.04 7.33 29.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.561 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 58.2 m 45.74 31.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.38 10.29 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.365 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.9 t -89.35 109.93 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.517 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.4 OUTLIER -64.22 131.6 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -40.36 159.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.469 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.07 151.75 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.1 mp0 -141.01 13.2 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.7 t -84.89 -25.25 28.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.99 -14.84 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -56.61 2.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.07 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.597 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -119.62 83.75 28.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.561 1.821 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.9 OUTLIER -64.18 94.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.276 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -126.77 154.13 44.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 517' ' ' PRO . 2.9 m-70 69.53 -56.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.646 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 22.2 m120 -84.05 -20.78 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.402 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -168.05 -167.81 29.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.17 139.6 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 0.705 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.53 109.51 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.18 131.68 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.352 1.033 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.08 88.29 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -86.29 174.51 9.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.464 ' CG1' ' ND2' ' A' ' 490' ' ' ASN . 1.1 mp -91.89 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 1.0 OUTLIER 159.26 -44.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.33 -177.52 5.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.597 ' CD2' ' OG ' ' A' ' 497' ' ' SER . 16.1 p90 -107.16 145.31 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -123.5 134.11 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.227 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 56.0 m -86.1 93.6 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.233 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -161.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.52 146.64 31.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.503 ' CB ' ' O ' ' A' ' 501' ' ' HIS . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.78 155.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 417' ' ' SER . 18.5 t0 -85.79 78.58 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.514 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 1.6 mp0 -53.97 -17.28 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.7 t -85.08 -18.9 32.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.4 t -87.35 -28.19 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -64.81 -72.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -174.2 32.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -126.74 75.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -105.91 105.86 54.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.482 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -74.99 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.508 1.793 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 5.1 m -48.43 -19.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.283 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 72.91 -57.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 426' ' ' ALA . 0.3 OUTLIER -162.54 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.491 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . -102.35 108.63 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.41 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 148.64 165.39 12.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.424 1.078 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -93.44 138.66 31.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 121.27 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.468 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 0.0 OUTLIER -123.12 169.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 431' ' ' ASN . 5.7 t30 -102.29 126.66 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.481 ' HG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -115.75 170.59 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.43 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.94 121.03 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.08 -45.46 3.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.455 ' HA ' ' OE1' ' A' ' 415' ' ' GLU . 8.7 m -132.47 171.94 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.935 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.2 p90 -98.13 155.77 16.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.481 ' N ' ' HG1' ' A' ' 432' ' ' THR . 2.8 tt0 -119.91 146.24 45.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 1.4 t -142.08 130.42 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 108.315 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 428' ' ' LYS . 30.4 mt-30 -86.88 158.92 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.5 172.06 12.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.664 ' CD1' ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -158.16 119.76 3.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 70.12 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.06 73.29 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.664 ' CD1' ' CD1' ' A' ' 441' ' ' LEU . 1.7 m-85 -104.38 160.84 14.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.6 t -102.89 -125.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.681 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.11 163.03 38.4 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.416 1.072 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -32.93 4.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.508 ' C ' ' OE2' ' A' ' 450' ' ' GLU . 18.7 mmt-85 -119.66 9.18 11.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.631 ' N ' ' HE2' ' A' ' 450' ' ' GLU . 0.1 OUTLIER 85.69 65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.631 ' HE2' ' N ' ' A' ' 449' ' ' CYS . 14.3 pm0 -153.77 19.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.566 1.166 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' A' ' 445' ' ' THR . 36.5 mm -127.54 147.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.601 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 5.4 t0 -101.17 122.05 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.4 p -98.7 166.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.504 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 45.0 t-20 -101.85 110.19 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.513 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.2 pm0 -84.74 -19.98 31.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.7 p -92.82 14.63 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 108.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.7 OUTLIER -81.64 -58.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.514 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 1.1 t -107.89 3.73 24.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.591 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -138.19 55.52 8.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.96 -3.54 14.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.564 1.823 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 78.79 0.41 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 108.268 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.539 ' HG3' ' C ' ' A' ' 461' ' ' CYS . 2.8 pp0? 34.05 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.539 ' ND2' HE22 ' A' ' 462' ' ' GLN . 0.3 OUTLIER 72.09 30.15 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 463' ' ' ASN . 46.6 t0 69.28 17.48 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.586 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . -81.0 121.67 26.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.1 m -69.85 108.87 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 136.56 57.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.239 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 3.5 mt -135.18 84.56 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.402 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 118.65 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.234 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -120.9 -173.38 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.553 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -63.59 115.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.354 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.76 28.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 471' ' ' ILE . 3.6 pt-20 -164.67 153.19 12.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.413 0.714 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -145.4 160.76 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.508 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 2.8 pp0? -143.53 151.65 40.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 465' ' ' ALA . 12.8 p -124.83 116.87 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.73 110.34 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.8 178.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.233 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 13.0 mtp -84.02 151.21 60.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 52.73 3.13 Favored 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -138.88 -40.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.42 1.075 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -107.97 169.44 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -152.42 178.12 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 110.199 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.19 -174.55 15.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.591 1.182 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -38.38 77.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.561 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.1 OUTLIER -109.09 13.75 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.633 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 463' ' ' ASN . 40.8 t 43.51 27.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 486' ' ' HIS . 28.4 tt0 -98.48 0.22 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.385 1.053 . . . . 0.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.68 125.28 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 491' ' ' THR . 28.2 t-20 -68.12 144.5 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.26 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.98 171.35 9.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.9 pm0 -148.35 18.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 28.78 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.46 62.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.08 10.73 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.32 103.46 8.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.92 -34.79 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 60.8 9.92 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 108.301 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 499' ' ' CYS . 5.3 tp 46.65 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -13.05 60.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -70.76 -11.1 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -155.37 135.81 4.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.58 114.09 27.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.28 100.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 108.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.96 132.04 41.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.52 86.24 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.77 137.42 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.425 ' O ' ' ND2' ' A' ' 510' ' ' ASN . 1.4 mt -70.55 66.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.5 OUTLIER 163.38 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.17 -170.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.248 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.99 145.2 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.59 108.85 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 6.7 t -79.02 83.82 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 165.11 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.7 p -108.66 117.78 53.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.927 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 432' ' ' THR . 10.7 t70 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.89 160.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 417' ' ' SER . 19.7 t0 -83.5 77.93 9.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 1.5 mp0 -63.66 -7.79 8.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -17.16 30.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.242 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 0.2 OUTLIER -104.88 -19.32 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 110.013 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 0.7 OUTLIER -61.04 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.316 1.01 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -162.17 25.23 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.617 1.198 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.31 92.34 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.792 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.35 104.09 55.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.545 ' CG ' ' CD ' ' A' ' 450' ' ' GLU . 18.4 Cg_endo -75.03 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 4.8 m -42.31 -24.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.52 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 69.67 -93.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.211 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 426' ' ' ALA . 0.1 OUTLIER -140.38 50.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 425' ' ' HIS . . . 161.92 98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.6 175.83 24.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.9 OUTLIER -103.54 136.48 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 109.77 19.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.377 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -114.6 169.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.7 t30 -108.7 137.76 46.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.1 OUTLIER -126.89 166.17 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.17 123.21 23.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.03 -46.0 3.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 432' ' ' THR . 9.5 m -133.2 174.2 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 0.699 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -100.95 155.19 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -124.27 145.73 49.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.204 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.52 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -144.22 132.5 21.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -78.59 149.21 33.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 141.62 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.355 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.44 119.78 39.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 5.1 mm-40 61.3 -101.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.62 72.44 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -100.3 161.0 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.2 t -102.09 -123.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.621 1.201 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.874 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.69 158.14 20.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.581 1.175 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.43 11.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 28.0 mmm180 -114.61 -4.55 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.6 OUTLIER 90.34 58.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 108.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.545 ' CD ' ' CG ' ' A' ' 422' ' ' PRO . 0.9 OUTLIER -148.99 14.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.874 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 1.4 mp -117.48 145.36 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.79 128.06 44.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.492 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.61 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.574 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 60.1 t-20 -100.66 91.19 4.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.606 ' HE2' ' N ' ' A' ' 473' ' ' GLU . 13.1 mp0 -59.83 -9.54 3.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -83.26 6.98 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 16.5 m -100.18 -25.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.456 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 0.4 OUTLIER -117.05 4.01 12.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.913 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -155.42 57.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -75.04 -0.35 9.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.8 OUTLIER 72.97 20.78 3.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.13 . . . . 0.0 108.301 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 84.53 -149.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.21 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -112.02 32.19 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.09 36.67 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -169.33 135.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -77.75 109.03 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 142.01 56.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.26 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 64.0 mt -146.94 101.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 4.2 t0 -64.87 120.86 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.2 OUTLIER -112.16 -168.68 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.01 112.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.97 22.71 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.606 ' N ' ' HE2' ' A' ' 455' ' ' GLU . 3.9 pt-20 -168.16 154.28 7.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 0.735 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.624 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 25.4 p90 -116.95 162.13 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.12 132.37 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.8 OUTLIER -119.68 132.3 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 108.268 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 15.6 mm -99.17 110.68 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 -174.09 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 31.3 mtp -84.52 151.62 59.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -143.97 -42.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -102.07 170.93 7.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.3 OUTLIER -155.08 -176.16 5.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.27 -175.97 22.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.411 1.069 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -78.08 -19.03 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.754 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.575 ' CD2' HG11 ' A' ' 485' ' ' VAL . 13.8 m-70 -105.74 2.78 28.24 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.501 1.125 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.0 m 49.71 30.21 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 108.351 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.422 ' O ' HG21 ' A' ' 509' ' ' ILE . 0.0 OUTLIER -126.96 10.59 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 9.9 t -89.33 112.86 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 491' ' ' THR . 6.3 p30 -67.75 91.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.367 1.042 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 57.23 154.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.24 134.07 37.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 25.64 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 17.83 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.234 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.82 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -62.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.4 p -136.38 98.38 11.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -74.91 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 500' ' ' LEU . 22.5 m 38.49 59.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 108.319 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 2.6 pt? -57.02 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 97.7 m-70 67.92 -107.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -105.11 -21.19 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . -68.46 154.48 53.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.32 137.87 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.783 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 130.85 40.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.1 tp -108.07 131.46 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.428 ' CG ' ' CG1' ' A' ' 489' ' ' VAL . 32.6 t0 -95.0 96.37 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -92.53 145.43 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 488' ' ' GLU . 0.5 OUTLIER -74.63 57.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.64 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -163.88 -163.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.223 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -124.31 145.33 49.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.71 123.09 39.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 96.65 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.15 91.39 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 128.91 30.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 432' ' ' THR . 9.1 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.453 ' CG1' ' OE1' ' A' ' 415' ' ' GLU . 3.1 p -104.32 157.76 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.444 ' HD2' ' N ' ' A' ' 417' ' ' SER . 60.5 t0 -90.71 76.43 6.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.3 mp0 -58.77 -15.11 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.1 OUTLIER -81.19 -16.96 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.444 ' N ' ' HD2' ' A' ' 414' ' ' ASP . 4.8 t -108.36 -19.1 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.982 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 4.2 mt -69.85 -81.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.99 24.53 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.422 1.076 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -124.83 77.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -115.68 105.52 51.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.486 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.97 -34.35 3.92 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 426' ' ' ALA . 83.4 m -60.47 -9.73 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 423' ' ' CYS . 8.2 pt-20 49.0 40.67 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 424' ' ' GLU . 13.2 m-70 77.65 -7.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 423' ' ' CYS . . . -109.69 75.21 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.13 -169.69 32.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -105.42 120.2 40.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.47 114.29 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.411 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.567 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -115.37 169.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.5 t30 -108.57 138.61 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -126.65 164.21 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.86 122.86 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.42 -44.65 3.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 432' ' ' THR . 8.2 m -133.1 169.36 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 45.6 p90 -100.33 160.14 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -128.98 141.83 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.4 t -142.27 126.17 17.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 428' ' ' LYS . 6.9 mt-30 -86.61 158.43 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.4 p -87.52 172.53 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.72 153.76 42.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.475 ' NE2' HD21 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 47.21 -98.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -139.13 68.68 0.49 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.636 ' CD1' HD13 ' A' ' 441' ' ' LEU . 3.0 m-85 -104.11 160.03 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.923 ' N ' ' O ' ' A' ' 451' ' ' ILE . 0.9 OUTLIER -104.06 -114.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.854 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.73 158.59 22.23 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . 0.438 ' HG2' ' CD ' ' A' ' 448' ' ' ARG . 18.2 Cg_endo -75.0 -27.75 9.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.2 OUTLIER -112.07 -5.78 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.224 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 91.88 60.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.362 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -156.9 21.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.923 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.1 mp -127.73 144.14 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.6 t70 -89.52 137.29 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.545 ' CB ' HG23 ' A' ' 445' ' ' THR . 0.2 OUTLIER -101.11 162.05 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.589 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 63.4 t-20 -101.53 89.64 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.587 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 12.6 mp0 -60.85 -11.72 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -79.04 2.19 21.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.396 1.06 . . . . 0.0 108.223 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.589 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 14.4 m -96.91 -25.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.22 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.465 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 58.1 m -116.92 0.82 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -156.31 58.7 1.77 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.95 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 1.4 m 71.1 22.22 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.348 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 74.37 -169.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -92.31 39.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 27.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -164.48 127.84 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.5 m -69.69 109.2 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 131.98 45.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 108.386 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 28.2 mt -137.12 95.81 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 0.6 OUTLIER -64.39 125.86 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.195 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.7 -168.04 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.618 1.198 . . . . 0.0 110.29 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.542 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -72.98 118.83 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.0 24.35 0.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -169.88 153.93 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.2 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 18.9 p90 -120.68 162.5 19.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.25 133.42 26.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.8 OUTLIER -121.7 126.7 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 12.8 mm -83.19 148.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 482' ' ' TYR . 40.9 t -102.98 145.26 30.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.85 152.57 53.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.39 5.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.39 -41.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.405 ' O ' ' SG ' ' A' ' 478' ' ' CYS . 20.0 m-85 -120.31 171.36 8.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 0.806 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.2 OUTLIER -149.1 -178.25 6.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.08 -163.22 12.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.553 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.3 -35.66 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.553 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.54 6.31 27.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 38.9 t 45.11 39.01 3.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 0.0 OUTLIER -112.18 -0.42 15.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.19 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' A' ' 509' ' ' ILE . 0.8 OUTLIER -88.9 122.45 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.545 ' O ' ' CG2' ' A' ' 491' ' ' THR . 5.9 p30 -77.56 92.55 4.07 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 490' ' ' ASN . 12.6 t 51.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.21 161.95 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.6 pm0 -144.83 26.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.3 25.74 10.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.31 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -67.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.069 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.95 90.32 50.56 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.28 21.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.0 OUTLIER 41.77 56.71 3.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 501' ' ' HIS . 6.4 tp -81.16 163.51 23.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 3.3 m170 69.27 -58.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m-20 -81.47 4.58 20.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . 160.31 -177.76 36.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -129.96 139.56 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.57 125.94 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.4 mp -92.54 132.1 37.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.63 96.74 6.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -106.24 147.15 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.6 pt -76.25 60.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.63 -159.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 6.3 p90 -127.05 132.68 50.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -110.02 114.9 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 74.4 m -81.95 95.45 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 108.282 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 504' ' ' ARG . 2.8 pt-20 -71.76 -179.42 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.61 141.48 23.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.246 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.407 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -84.99 149.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 26.7 t0 -91.93 77.45 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.6 mp0 -55.35 -18.69 7.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.232 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -81.27 -19.07 43.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.1 t -99.18 -20.03 16.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 2.6 mt -73.6 -79.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -165.76 26.88 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.29 78.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 0.75 . . . . 0.0 109.331 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -120.88 106.24 39.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.96 -28.39 9.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 50.6 m -50.17 -19.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 423' ' ' CYS . 3.5 mm-40 72.24 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 1.0 OUTLIER -139.75 -44.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.409 ' HB2' ' OH ' ' A' ' 444' ' ' TYR . . . -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.229 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.08 163.63 18.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.3 OUTLIER -99.95 128.59 46.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 429' ' ' CYS . 0.3 OUTLIER -112.37 119.71 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -121.71 169.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 432' ' ' THR . 18.1 t30 -107.55 135.62 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.83 165.15 19.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.61 122.74 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.25 -44.29 3.15 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.493 1.12 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 432' ' ' THR . 23.1 t -132.84 169.81 16.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.633 0.843 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . 0.415 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 28.8 p90 -104.74 144.55 31.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.478 ' N ' ' HG1' ' A' ' 432' ' ' THR . 5.2 tt0 -107.04 144.11 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 16.6 t -143.65 124.83 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.24 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 428' ' ' LYS . 23.9 mt-30 -82.3 155.87 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.3 p -86.57 156.99 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.35 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.93 136.42 52.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.445 ' HA ' ' NE2' ' A' ' 442' ' ' GLN . 8.0 mm-40 44.16 -101.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.248 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.46 70.76 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.5 m-85 -100.27 160.81 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.834 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.9 t -102.62 -124.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.871 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.23 157.39 11.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -25.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.4 mmt-85 -110.33 -5.81 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 0.0 110.352 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 88.08 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.556 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -144.93 6.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.871 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 0.7 OUTLIER -107.12 147.01 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 25.7 t0 -100.8 125.7 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.519 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.6 p -97.98 167.98 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.571 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 40.9 t-20 -101.05 90.5 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.542 ' HE2' ' N ' ' A' ' 473' ' ' GLU . 2.0 pm0 -64.43 -5.32 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 469' ' ' ASP . 20.6 t -88.62 11.36 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 13.0 m -109.81 -22.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 6.6 p -115.56 -7.46 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -140.3 59.28 12.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.04 -2.73 12.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 1.8 t 75.02 20.11 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.8 tt0 84.34 -141.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.453 ' ND2' ' OE1' ' A' ' 462' ' ' GLN . 8.8 p30 -116.9 -1.62 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -116.6 54.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.087 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.459 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . 176.25 120.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 466' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 0.9 OUTLIER -66.89 106.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 49.8 t -63.64 163.04 12.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.476 ' O ' ' NE2' ' A' ' 470' ' ' GLN . 1.4 mt -170.09 90.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.177 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -75.71 151.54 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -152.72 -162.61 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.355 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -53.45 118.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 25.1 41.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 471' ' ' ILE . 4.3 pt-20 -169.01 155.02 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 0.709 . . . . 0.0 110.355 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 459' ' ' ASN . 5.9 p90 -135.72 139.75 43.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 468' ' ' LEU . 8.8 pt20 -121.93 144.01 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.379 1.05 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 466' ' ' THR . 13.7 p -127.06 137.55 53.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 10.8 mm -103.21 115.55 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -84.64 152.35 59.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 55.1 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.762 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.12 -42.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 58.0 m-85 -109.47 170.48 8.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 489' ' ' VAL . 2.4 tt0 -154.25 -179.95 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.03 -177.8 16.43 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -68.71 -34.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.496 ' CD2' HG13 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -108.05 -1.56 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.657 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 57.5 m 60.39 28.29 17.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.102 . . . . 0.0 108.222 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -103.86 3.33 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 483' ' ' GLU . 2.0 m -107.88 128.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.574 ' HA ' ' CD2' ' A' ' 482' ' ' TYR . 24.6 t-20 -67.71 144.57 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.24 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -51.7 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -76.34 174.69 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.07 . . . . 0.0 109.194 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.35 43.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -140.91 46.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.58 -14.85 60.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.26 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 0.0 109.871 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 497' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 53.4 m -101.26 111.35 63.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.949 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 499' ' ' CYS . 18.4 Cg_endo -75.02 -25.83 11.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 498' ' ' PRO . 52.5 t 46.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.37 27.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.96 -46.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.619 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -99.69 -19.66 16.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 517' ' ' PRO . . . -176.91 -179.5 47.34 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.411 1.069 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -113.44 118.74 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 0.817 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 497' ' ' SER . 1.2 m -59.72 106.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . 0.423 ' CD2' ' HG3' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -98.44 131.99 44.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -93.87 132.66 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.8 64.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 508' ' ' LYS . 0.2 OUTLIER 167.85 -44.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.23 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -151.64 -172.13 4.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.1 OUTLIER -117.54 122.05 42.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -105.96 161.29 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.38 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.38 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.423 ' HG3' ' CD2' ' A' ' 506' ' ' LEU . 4.5 mm-40 -61.27 -139.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 137.05 21.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.429 ' HD3' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.236 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 412' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 434' ' ' GLY . 4.8 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 413' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 418' ' ' LEU . 2.4 p -112.25 152.78 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 414' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.9 t0 -89.53 76.31 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.396 1.06 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 415' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.1 mp0 -55.98 -19.24 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 416' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.0 OUTLIER -79.0 -19.77 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.371 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 44.5 t -99.05 -25.67 14.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 418' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 413' ' ' VAL . 1.8 mt -67.34 -78.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.95 31.69 0.24 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 420' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -124.73 75.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 0.805 . . . . 0.0 109.241 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 421' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 4.1 t30 -116.52 107.33 47.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 422' ' ' PRO . . . . . 0.609 ' O ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.97 -36.48 2.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 423' ' ' CYS . . . . . 0.638 ' O ' ' C ' ' A' ' 424' ' ' GLU . 85.2 m -65.41 56.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 424' ' ' GLU . . . . . 0.638 ' C ' ' O ' ' A' ' 423' ' ' CYS . 25.0 mt-10 16.36 -96.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -135.68 11.36 3.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 426' ' ' ALA . . . . . 0.501 ' CB ' ' OH ' ' A' ' 444' ' ' TYR . . . -139.44 105.02 5.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 427' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . 155.64 -175.97 33.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 428' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.9 121.95 46.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 429' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -109.46 109.5 20.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 430' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -110.67 169.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 431' ' ' ASN . . . . . 0.444 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.8 t30 -108.83 139.88 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 432' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -127.72 170.49 12.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.28 122.38 24.31 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 434' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 412' ' ' ASP . . . 83.2 -44.87 3.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.2 m -132.49 172.51 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -103.6 155.4 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 437' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 430' ' ' ILE . 5.9 tt0 -122.02 146.75 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 438' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 47.9 t -142.01 124.55 15.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 439' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 428' ' ' LYS . 10.5 mt-30 -81.94 159.94 23.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 440' ' ' CYS . . . . . 0.455 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.2 m -82.0 157.77 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.35 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 441' ' ' LEU . . . . . 0.481 ' CD2' ' HA2' ' A' ' 427' ' ' GLY . 0.3 OUTLIER -111.63 96.83 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 442' ' ' GLN . . . . . 0.475 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 69.21 -92.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.227 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -123.71 71.21 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 444' ' ' TYR . . . . . 0.501 ' OH ' ' CB ' ' A' ' 426' ' ' ALA . 1.7 m-85 -103.87 160.97 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 0.828 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 445' ' ' THR . . . . . 0.884 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.3 t -102.97 -121.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 446' ' ' GLY . . . . . 0.86 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.65 156.89 17.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.27 10.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 448' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 14.0 mmt180 -110.63 -9.72 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 449' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 95.48 62.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 450' ' ' GLU . . . . . 0.505 ' C ' ' CD1' ' A' ' 451' ' ' ILE . 0.0 OUTLIER -157.37 22.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 451' ' ' ILE . . . . . 0.884 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.6 mp -124.01 145.33 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 452' ' ' ASP . . . . . 0.528 ' N ' HG22 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -96.42 123.84 40.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 453' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.4 OUTLIER -98.87 160.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 454' ' ' ASN . . . . . 0.597 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 57.9 t-20 -97.45 89.65 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 455' ' ' GLU . . . . . 0.538 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 0.8 OUTLIER -59.47 -14.84 14.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -2.17 28.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 457' ' ' VAL . . . . . 0.597 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 31.2 m -75.62 -26.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 458' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 67.1 m -119.66 -0.54 10.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 459' ' ' ASN . . . . . 0.607 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -150.95 58.33 2.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 460' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.841 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 461' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 7.3 m 70.98 20.21 5.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 462' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 82.85 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 463' ' ' ASN . . . . . 0.458 HD21 ' N ' ' A' ' 464' ' ' ASP . 0.1 OUTLIER -102.75 -27.0 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 464' ' ' ASP . . . . . 0.458 ' N ' HD21 ' A' ' 463' ' ' ASN . 0.2 OUTLIER -67.44 -9.99 47.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 465' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -123.18 124.49 43.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 1.3 m -73.57 109.71 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 148.88 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 468' ' ' LEU . . . . . 0.417 ' CB ' ' HG2' ' A' ' 475' ' ' GLN . 7.0 mt -154.73 79.53 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.01 145.61 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 470' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -150.94 -165.44 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 471' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -52.52 115.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 472' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 26.39 40.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 473' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -170.54 154.41 4.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 474' ' ' PHE . . . . . 0.607 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -138.39 159.59 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 475' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 9.5 pt20 -136.51 151.84 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 476' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 465' ' ' ALA . 1.7 p -130.18 113.36 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 477' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 5.7 mt -67.76 162.55 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 478' ' ' CYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 1.9 t -120.72 151.35 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.1 mmt -99.63 150.27 36.65 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.66 5.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.54 -41.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.152 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 482' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 40.1 m-85 -129.2 170.38 13.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 483' ' ' GLU . . . . . 0.405 ' O ' HG21 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -145.34 -179.85 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 121.71 -174.87 16.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 485' ' ' VAL . . . . . 0.689 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -70.0 -32.02 49.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 486' ' ' HIS . . . . . 0.689 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 14.4 m170 -108.23 -9.18 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.71 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 84.4 m 65.24 36.58 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' OE1' ' A' ' 462' ' ' GLN . 5.7 tp10 -112.64 -3.83 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 489' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 483' ' ' GLU . 1.8 m -96.62 125.0 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 490' ' ' ASN . . . . . 0.651 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.0 OUTLIER -62.67 147.13 50.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 491' ' ' THR . . . . . 0.472 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.55 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 492' ' ' ASP . . . . . 0.438 ' HD2' ' N ' ' A' ' 495' ' ' ALA . 25.4 t0 -69.09 162.34 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.393 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 493' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -133.13 22.31 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.19 45.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 108.278 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 495' ' ' ALA . . . . . 0.438 ' N ' ' HD2' ' A' ' 492' ' ' ASP . . . -68.73 -17.64 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -55.47 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.41 99.35 40.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.31 11.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 499' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 503' ' ' GLY . 1.0 OUTLIER 70.06 30.77 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.377 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 500' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 501' ' ' HIS . 0.2 OUTLIER -50.67 125.09 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 501' ' ' HIS . . . . . 0.558 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 81.38 -45.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.636 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 1.9 m-80 -69.17 -20.18 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 503' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 151.13 -151.84 23.75 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 515' ' ' GLU . 5.7 ttp180 -127.2 125.36 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 118.2 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tp -98.97 141.42 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 507' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.9 OUTLIER -103.23 89.28 3.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -86.3 165.48 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 509' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -87.96 69.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 510' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 2.6 m-20 158.48 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 512' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 1.4 p90 -116.56 144.05 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.1 108.28 13.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 34.4 t -69.48 80.27 0.4 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 515' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 504' ' ' ARG . 59.7 mm-40 -44.99 168.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.18 133.2 21.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 517' ' ' PRO . . . . . 0.479 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 431' ' ' ASN . 9.4 t0 -158.85 130.63 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 2.1 p -112.43 160.48 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.453 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 15.1 t0 -93.12 77.71 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.513 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.9 mp0 -57.92 -15.72 9.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.453 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -85.88 -15.53 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 1.0 OUTLIER -110.22 -9.25 14.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.513 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -73.39 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -148.11 16.66 1.35 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.56 90.86 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 103.24 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.569 1.168 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.618 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.1 Cg_endo -75.01 -40.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 6.1 m -43.96 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.519 ' N ' ' C ' ' A' ' 422' ' ' PRO . 7.4 mt-10 68.61 -106.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.429 ' O ' ' CB ' ' A' ' 426' ' ' ALA . 10.9 m-70 -131.64 46.4 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.597 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . 168.08 90.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 162.13 172.47 29.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.442 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -103.14 137.1 41.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 429' ' ' CYS . 0.1 OUTLIER -119.54 117.43 28.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.334 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.566 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -122.73 168.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.5 t30 -108.17 134.72 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.21 163.31 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.57 122.57 20.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.9 -44.65 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.605 1.191 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 432' ' ' THR . 15.1 m -132.89 169.3 16.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.618 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 5.7 p90 -102.98 149.69 24.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -114.58 142.92 45.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.444 ' SG ' ' HB2' ' A' ' 450' ' ' GLU . 2.0 t -143.88 127.52 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 428' ' ' LYS . 45.6 mt-30 -80.97 160.5 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 444' ' ' TYR . 0.1 OUTLIER -93.7 155.3 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.568 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.06 106.48 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.568 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.6 OUTLIER 68.68 -93.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.38 74.65 0.43 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.604 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.3 m-85 -103.03 160.97 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.759 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.3 t -101.93 -126.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.693 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.32 163.77 38.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.77 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.3 OUTLIER -118.92 6.88 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.671 ' N ' ' HE2' ' A' ' 450' ' ' GLU . 0.4 OUTLIER 87.61 62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 108.263 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.671 ' HE2' ' N ' ' A' ' 449' ' ' CYS . 17.9 pm0 -149.39 15.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.759 ' O ' ' N ' ' A' ' 445' ' ' THR . 33.3 mm -122.91 147.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 6.4 t0 -101.42 121.98 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.493 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.4 p -98.99 165.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.541 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 59.6 t-20 -101.66 92.23 4.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.496 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -64.14 -7.56 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 8.36 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.541 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 14.3 m -100.17 -26.27 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -4.61 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.614 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -144.28 56.55 4.18 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.95 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.508 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 0.5 OUTLIER 73.66 20.87 2.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 86.8 -145.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -115.27 41.54 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.404 ' OD1' ' OE1' ' A' ' 488' ' ' GLU . 0.4 OUTLIER -151.19 38.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -169.02 134.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 466' ' ' THR . 0.5 OUTLIER -78.47 110.14 13.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 134.35 47.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.342 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 10.8 mt -134.09 95.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 48.9 t0 -65.58 125.43 25.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -124.69 -172.71 2.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.66 114.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.59 27.29 0.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.62 158.25 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.614 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -142.24 160.55 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.475 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -141.16 134.64 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.8 OUTLIER -114.98 121.69 43.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 19.6 mm -92.06 115.67 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -173.35 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 58.7 mtp -83.19 152.25 64.57 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 55.48 3.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.7 -43.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 28.1 m-85 -112.72 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.44 ' O ' HG23 ' A' ' 489' ' ' VAL . 2.0 tt0 -158.14 -178.33 7.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.149 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.71 -171.4 13.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.525 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -70.41 -34.44 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.525 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.83 6.59 27.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 52.1 m 44.2 47.25 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 4.3 tp10 -127.58 -1.33 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.475 ' HA ' ' CG2' ' A' ' 509' ' ' ILE . 0.8 OUTLIER -90.94 117.19 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.558 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 5.2 p30 -71.33 90.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.51 ' CG2' ' O ' ' A' ' 490' ' ' ASN . 8.8 t 48.53 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -95.8 159.77 14.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 109.238 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.7 pm0 -146.2 22.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.5 p -95.34 12.86 27.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.33 -14.3 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 44.5 m -103.93 24.96 10.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.543 ' OG ' ' CE2' ' A' ' 512' ' ' PHE . 1.3 p -166.5 90.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.4 ' C ' ' H ' ' A' ' 500' ' ' LEU . 17.9 Cg_endo -75.01 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.439 ' CB ' ' HA3' ' A' ' 503' ' ' GLY . 19.9 m 77.52 -48.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.4 ' H ' ' C ' ' A' ' 498' ' ' PRO . 5.2 tp 69.66 170.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 29.2 m170 67.39 -110.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.486 ' O ' ' CD ' ' A' ' 517' ' ' PRO . 7.0 m-20 -106.02 -20.04 13.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 502' ' ' ASN . . . -32.99 111.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.03 115.83 26.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 7.3 p -77.85 141.75 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 108.21 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.423 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.3 tp -103.79 132.87 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.432 ' OD2' ' CG2' ' A' ' 489' ' ' VAL . 0.7 OUTLIER -81.81 100.57 9.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 16.1 mmtt -111.4 154.13 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 3.9 pt -81.69 63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.372 1.045 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.84 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.37 -165.32 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 2.4 p90 -116.5 144.69 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -115.41 109.52 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.15 97.55 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 108.353 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.29 171.73 7.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 32.5 t -111.11 116.13 51.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 108.245 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.486 ' CD ' ' O ' ' A' ' 502' ' ' ASN . 18.2 Cg_endo -75.05 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 1.2 m -168.28 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -41.98 -31.1 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -95.95 -64.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -47.57 139.77 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.633 1.208 . . . . 0.0 110.478 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -121.82 38.76 2.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.15 -79.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.605 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.55 -48.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.97 97.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.366 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . 0.553 ' HD2' ' N ' ' A' ' 413' ' ' VAL . 13.0 t70 -141.23 175.05 9.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.553 ' N ' ' HD2' ' A' ' 412' ' ' ASP . 0.3 OUTLIER -82.14 145.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 30.3 t0 -90.27 81.05 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.49 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.0 mp0 -54.71 -15.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.448 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -86.08 -21.17 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.241 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 414' ' ' ASP . 2.5 t -96.39 -15.46 21.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.496 ' CD1' HG12 ' A' ' 413' ' ' VAL . 1.0 OUTLIER -73.03 -90.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -153.85 22.57 0.7 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.8 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -114.75 105.5 53.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.509 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -36.05 2.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.452 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.7 m -43.78 -23.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 108.294 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.485 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.2 mm-40 69.5 -99.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.413 ' O ' ' CB ' ' A' ' 426' ' ' ALA . 9.0 m-70 -136.21 44.26 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.652 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.532 ' CB ' ' CG2' ' A' ' 471' ' ' ILE . . . 169.47 97.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 157.67 174.39 27.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.496 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -104.87 138.78 40.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.356 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.41 ' O ' ' SG ' ' A' ' 429' ' ' CYS . 0.1 OUTLIER -121.95 119.78 32.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 108.211 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.537 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -122.05 169.68 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.412 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 42.6 t30 -108.14 135.12 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.425 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -127.41 165.14 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 123.71 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.48 -46.52 3.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.0 m -133.03 173.38 11.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 17.9 p90 -104.61 162.16 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.2 tt0 -125.01 145.29 49.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.506 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 2.2 t -142.41 130.19 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 428' ' ' LYS . 50.4 mt-30 -82.34 152.87 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 4.1 m -83.77 155.2 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -110.76 98.95 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.434 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 9.4 mm-40 65.49 -100.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -113.08 69.46 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.542 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.0 OUTLIER -101.94 159.5 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.969 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.6 t -103.91 -123.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.439 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.713 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.59 160.37 35.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.594 1.183 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -30.62 7.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -116.72 -3.69 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.3 t 97.01 68.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.395 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.514 ' OE1' ' N ' ' A' ' 448' ' ' ARG . 3.0 pm0 -161.42 23.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.794 ' O ' ' N ' ' A' ' 445' ' ' THR . 42.2 mm -128.11 149.06 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.542 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.7 t0 -100.47 122.76 43.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.552 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.5 p -99.67 170.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.552 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 44.8 t-20 -101.73 104.89 15.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.494 ' O ' ' ND2' ' A' ' 459' ' ' ASN . 4.5 pm0 -83.63 -12.57 55.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.92 1.23 57.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 108.361 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.532 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -72.6 -60.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.532 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.2 OUTLIER -93.3 3.09 56.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.654 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.08 51.49 2.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.654 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.95 1.02 8.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 1.1 m 72.72 19.13 4.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 2.7 tt0 86.06 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -99.81 -26.12 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.62 50.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 476' ' ' CYS . . . -179.54 125.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.458 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 16.0 m -79.21 107.88 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 110.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 133.23 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.4 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.507 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 1.6 mt -128.12 71.43 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.05 120.09 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -131.93 -176.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -54.36 118.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 33.71 38.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.86 154.51 11.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.81 160.3 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.507 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 3.2 mm100 -135.13 167.17 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.462 ' HB2' ' CB ' ' A' ' 465' ' ' ALA . 13.5 p -154.86 86.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 3.1 mm -70.79 114.08 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 175.78 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 16.8 mtp -83.31 151.71 63.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.8 3.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -146.54 -43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.464 ' CD1' ' HA ' ' A' ' 490' ' ' ASN . 60.0 m-85 -108.58 170.53 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 0.814 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.32 179.29 9.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.31 -175.14 16.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.564 1.165 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.543 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -67.79 -33.66 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.629 0.84 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.543 ' CD2' HG12 ' A' ' 485' ' ' VAL . 64.4 m170 -108.02 -5.2 17.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.567 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.58 40.99 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -119.18 -2.86 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.7 m -97.33 124.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.464 ' HA ' ' CD1' ' A' ' 482' ' ' TYR . 28.8 t-20 -66.06 145.59 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.8 t -40.67 161.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -177.21 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.452 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.3 OUTLIER -158.08 25.34 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.46 41.79 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 108.342 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.09 61.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 496' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 497' ' ' SER . 1.5 m -125.06 51.55 1.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 1.084 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 496' ' ' SER . 0.3 OUTLIER 159.62 70.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.28 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 23.9 p -47.32 103.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.634 ' CD2' ' CD2' ' A' ' 501' ' ' HIS . 0.0 OUTLIER -141.64 22.62 2.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 500' ' ' LEU . 15.0 m-70 -119.25 -53.65 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -12.87 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -167.16 171.98 42.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.591 1.182 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -116.26 113.01 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.7 OUTLIER -61.61 113.34 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.386 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -100.17 131.44 46.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.07 95.16 10.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 2.7 mmmt -91.5 156.67 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -77.61 56.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.19 -56.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -145.24 -163.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.452 ' HB3' ' CG ' ' A' ' 493' ' ' GLU . 12.2 p90 -121.5 139.14 53.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.97 108.86 9.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 4.6 t -77.6 105.88 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -163.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 2.0 t -98.42 140.18 21.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.288 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.368 1.72 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 9.7 t -165.92 -41.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -70.5 -38.05 69.06 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.474 ' CE2' ' HB ' ' A' ' 521' ' ' THR . 0.2 OUTLIER -55.01 -53.75 51.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 111.011 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.474 ' HB ' ' CE2' ' A' ' 520' ' ' PHE . 5.9 t -95.75 158.91 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -55.06 -70.1 1.06 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 523' ' ' HIS . 53.6 t60 -156.52 72.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 0.805 . . . . 0.0 109.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 6.7 mt -134.18 70.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.0 t -175.61 -71.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.403 1.065 . . . . 0.0 108.342 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . 0.446 ' CG ' ' O ' ' A' ' 432' ' ' THR . 9.9 t0 -154.69 125.01 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -103.08 156.05 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.476 ' HD2' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.18 77.06 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.479 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.5 mp0 -54.45 -20.95 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.572 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.9 OUTLIER -77.77 -20.34 53.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 108.346 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.476 ' N ' ' HD2' ' A' ' 414' ' ' ASP . 47.2 t -96.86 -27.99 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.479 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -65.67 -78.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.78 30.81 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.37 81.04 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 424' ' ' GLU . 6.8 t30 -120.19 106.77 40.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.49 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -74.94 -30.96 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.465 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 98.7 m -48.83 -19.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.411 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.5 mm-40 69.15 -100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -132.17 37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 444' ' ' TYR . . . -178.09 94.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 1.187 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.495 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . 155.96 171.94 22.9 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.526 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.17 127.31 51.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 0.715 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.04 111.82 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.415 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.579 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -112.96 170.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 432' ' ' THR . 32.7 t-20 -108.24 136.52 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.69 163.85 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . 0.412 ' CD2' ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -70.79 122.84 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.26 -44.96 3.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 432' ' ' THR . 32.1 t -132.5 169.11 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.038 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.572 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 2.8 p90 -105.09 144.53 31.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.5 tt0 -107.77 144.77 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.496 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 11.8 t -143.52 125.52 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.526 ' N ' ' O ' ' A' ' 428' ' ' LYS . 27.2 mt-30 -82.69 156.35 23.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.5 p -87.01 155.38 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 108.378 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.495 ' CD2' ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -116.7 134.1 55.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.434 ' NE2' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 52.15 -98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -130.75 73.67 0.46 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.567 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.9 m-85 -102.25 162.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.793 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.4 t -101.3 -124.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.477 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.04 157.58 11.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -22.57 14.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.434 1.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 17.8 mmt-85 -112.6 -6.23 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.595 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 88.1 56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.538 ' C ' HD11 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.44 6.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.837 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 0.6 OUTLIER -106.04 147.34 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.05 120.99 40.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.531 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.5 p -98.54 169.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.531 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 41.6 t-20 -100.87 101.68 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.561 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.3 pm0 -82.41 -10.5 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.3 OUTLIER -97.69 13.05 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.523 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -85.51 -59.19 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.523 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 3.4 m -93.58 7.41 44.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.707 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -142.32 48.33 1.07 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.3 Cg_endo -75.01 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 96.0 m 72.11 21.25 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.5 OUTLIER 80.47 -176.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -67.68 -43.97 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.489 ' O ' ' CB ' ' A' ' 465' ' ' ALA . 2.8 t70 -70.34 60.92 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.489 ' CB ' ' O ' ' A' ' 464' ' ' ASP . . . 164.29 113.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.473 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -75.75 107.26 7.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -68.43 147.33 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 1.045 . . . . 0.0 108.269 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.514 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 45.4 mt -138.01 90.16 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.66 120.75 13.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.227 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -124.07 -178.84 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -56.54 120.28 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 34.34 40.96 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.485 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.24 167.09 18.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 0.82 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.561 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.5 OUTLIER -141.13 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.75 ' NE2' ' H ' ' A' ' 476' ' ' CYS . 0.6 OUTLIER -133.31 176.19 8.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.75 ' H ' ' NE2' ' A' ' 475' ' ' GLN . 16.9 p -178.18 106.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 108.245 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.424 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 7.4 mm -69.86 159.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -111.53 155.64 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.207 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 10.5 mtt -98.0 148.64 34.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -179.53 -35.56 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -112.6 171.01 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.77 -177.94 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.31 -177.72 23.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.574 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.48 -20.68 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.574 ' CD2' HG12 ' A' ' 485' ' ' VAL . 4.4 m-70 -104.58 8.74 35.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 63.0 m 42.69 31.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 108.294 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.411 ' N ' ' C ' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -125.39 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.4 t -89.25 102.68 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.204 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 491' ' ' THR . 3.0 p30 -64.13 90.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER 51.95 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -78.08 -171.98 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.47 ' HB3' ' CB ' ' A' ' 512' ' ' PHE . 2.2 mp0 -156.57 38.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.41 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -166.78 49.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.22 62.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.7 m -108.62 23.99 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 1.8 m -140.96 87.5 10.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.501 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.5 Cg_endo -75.07 -13.17 21.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 12.3 m 70.86 -54.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.432 ' N ' ' O ' ' A' ' 498' ' ' PRO . 0.2 OUTLIER 79.4 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.376 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -69.54 -4.88 20.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -73.0 -13.79 61.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.441 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 155.75 -165.83 32.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.477 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -126.38 142.6 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 4.1 m -87.25 122.04 30.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.31 131.2 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -93.68 90.44 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -94.37 147.24 23.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.403 ' CD1' ' OE2' ' A' ' 488' ' ' GLU . 3.0 mp -80.36 53.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.63 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.13 -167.61 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.0 OUTLIER -118.89 145.04 46.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.36 116.3 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 512' ' ' PHE . 7.6 t -87.93 73.36 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.317 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.477 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -44.95 170.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.382 1.051 . . . . 0.0 110.237 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.75 140.01 21.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 108.265 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 520' ' ' PHE . 18.0 Cg_endo -75.03 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.43 1.752 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 520' ' ' PHE . 3.2 t -132.86 -43.71 0.89 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 518' ' ' THR . . . -37.01 -31.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.484 ' CD2' ' HG2' ' A' ' 517' ' ' PRO . 0.4 OUTLIER -43.05 -66.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 -6.34 42.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 110.48 -73.28 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -134.61 68.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.625 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 174.41 169.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.3 t -131.54 110.22 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 108.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -134.84 179.34 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.329 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.481 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.36 146.61 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -91.68 78.51 5.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.605 1.191 . . . . 0.0 109.275 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.492 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.6 mp0 -54.72 -16.78 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -83.07 -20.83 34.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.4 t -97.82 -18.98 18.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.492 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -72.16 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.83 24.05 0.41 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.05 80.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.422 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.2 t30 -118.36 105.7 45.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.522 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.96 -41.47 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.468 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.0 m -46.65 -22.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 108.282 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 9.1 mt-10 77.39 -71.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 424' ' ' GLU . 23.2 m-70 -155.32 -42.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.518 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.562 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . -93.94 81.96 4.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 175.46 176.63 43.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.569 1.168 . . . . 0.0 111.029 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.86 121.17 44.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.422 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -111.25 115.1 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.578 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -116.6 169.85 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.2 t30 -107.25 137.15 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.57 167.98 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.2 mt -74.02 124.18 25.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.96 3.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.9 m -132.83 172.66 12.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.541 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 15.3 p90 -106.0 144.95 32.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -108.24 142.85 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.437 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 22.9 t -142.8 124.3 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' A' ' 428' ' ' LYS . 15.9 mt-30 -82.1 155.61 24.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.437 1.086 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 155.88 19.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.583 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.42 127.27 53.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.583 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.6 OUTLIER 42.42 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 441' ' ' LEU . . . -120.97 73.8 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.562 ' CZ ' ' O ' ' A' ' 426' ' ' ALA . 1.2 m-85 -102.67 161.11 14.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.878 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.3 t -102.6 -122.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.792 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 78.96 155.74 9.21 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . 0.565 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -74.99 -23.1 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 42.9 mmm-85 -114.81 -2.24 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.543 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 85.87 61.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.522 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -154.33 21.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.878 ' O ' ' N ' ' A' ' 445' ' ' THR . 2.8 mp -125.66 144.68 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.518 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.45 123.16 40.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.473 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.9 OUTLIER -99.49 160.93 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.587 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 59.2 t-20 -101.09 91.5 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.53 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.7 pm0 -62.72 -12.01 21.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -0.48 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 108.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.587 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 29.1 m -78.74 -30.47 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 -6.62 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.526 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -146.3 58.98 5.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.526 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.09 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 92.3 m 72.15 20.14 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.301 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 464' ' ' ASP . 0.4 OUTLIER 78.19 -157.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 110.239 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.03 -34.47 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.457 ' OD1' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -55.35 -25.82 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.477 ' HB1' ' CB ' ' A' ' 461' ' ' CYS . . . -112.49 123.15 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 15.6 m -69.87 110.44 4.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 147.76 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 9.5 mt -154.95 80.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.39 127.1 30.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.397 1.061 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -122.95 179.0 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -62.84 123.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.608 1.193 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.65 28.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.49 156.75 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.84 148.5 38.92 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.586 1.179 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.43 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -134.39 154.89 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 24.5 p -138.82 124.7 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 2.1 mm -78.21 113.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.73 -177.59 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 6.5 mmt -83.91 148.7 54.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 54.87 3.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -174.13 -41.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -103.73 121.23 42.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.61 0.829 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.589 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 3.6 tt0 -160.23 176.77 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.06 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 151.09 -162.11 29.33 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.581 1.176 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.555 HG11 ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -57.24 -29.83 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.555 ' CD2' HG11 ' A' ' 485' ' ' VAL . 24.7 m170 -108.55 -12.47 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.666 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 77.57 12.7 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.434 ' HG2' ' NE2' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -124.6 28.33 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.589 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 77.6 t -108.66 130.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 491' ' ' THR . 19.5 t-20 -63.36 132.02 50.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 490' ' ' ASN . 4.5 t -39.42 160.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.06 170.39 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.54 30.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 53.5 m -107.54 -26.41 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.74 62.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.9 m -134.68 55.07 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 78.8 p -179.03 85.42 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.416 ' C ' ' H ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -75.0 78.63 2.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.12 -3.34 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.416 ' H ' ' C ' ' A' ' 498' ' ' PRO . 1.4 tp 46.28 -156.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.338 1.024 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.59 19.75 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -102.37 3.69 38.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 515' ' ' GLU . . . 171.77 172.33 37.66 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.584 1.178 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.472 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 26.1 mmt85 -125.06 113.85 18.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.3 114.18 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 108.352 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.6 136.15 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.8 83.82 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -85.08 159.42 20.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.85 64.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 172.42 -35.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -172.17 178.76 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -105.09 144.68 31.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -128.63 122.17 30.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 512' ' ' PHE . 16.9 t -91.96 98.93 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 108.299 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.472 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 3.2 pt-20 -83.13 -173.19 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 148.93 35.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -64.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 525' ' ' CYS . 1.0 OUTLIER -162.8 -63.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 172.67 37.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.605 ' CD2' ' CG2' ' A' ' 521' ' ' THR . 0.9 OUTLIER -157.79 167.01 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.605 ' CG2' ' CD2' ' A' ' 520' ' ' PHE . 40.1 p 48.96 77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 65.99 139.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 79.04 122.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.632 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.04 124.45 40.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 518' ' ' THR . 2.4 m -135.78 126.65 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -132.68 -179.97 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.499 ' CG1' ' OE1' ' A' ' 415' ' ' GLU . 3.6 p -87.86 150.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.44 ' HD2' ' N ' ' A' ' 417' ' ' SER . 31.7 t0 -85.76 76.62 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.499 ' OE1' ' CG1' ' A' ' 413' ' ' VAL . 1.6 mp0 -59.29 -13.33 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -14.58 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.36 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.44 ' N ' ' HD2' ' A' ' 414' ' ' ASP . 0.3 OUTLIER -113.57 -13.03 12.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.49 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 8.4 mt -73.32 -89.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -147.78 17.17 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.86 83.57 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.799 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.41 ' CG ' ' SG ' ' A' ' 429' ' ' CYS . 0.2 OUTLIER -116.79 108.3 44.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.509 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.06 -39.63 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 6.1 m -44.76 -24.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.251 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.509 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER 72.38 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.509 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 4.3 p80 -144.84 34.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.474 ' CB ' HG21 ' A' ' 471' ' ' ILE . . . 179.41 101.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.27 23.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.452 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -97.52 126.58 42.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.41 ' SG ' ' CG ' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -113.01 110.72 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.269 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.6 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -114.34 168.86 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 432' ' ' THR . 13.6 t30 -108.61 135.2 50.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.35 163.31 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.447 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.92 122.54 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.36 -44.79 3.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.7 m -133.33 168.75 18.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.404 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 19.6 p90 -101.33 147.86 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.463 ' N ' ' HG1' ' A' ' 432' ' ' THR . 2.8 tt0 -113.3 145.36 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.461 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 7.9 t -142.69 125.99 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.364 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 29.2 mt-30 -82.83 154.7 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.449 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.6 m -85.58 165.84 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.724 ' CD1' ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -149.32 143.59 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.462 ' NE2' ' N ' ' A' ' 442' ' ' GLN . 0.0 OUTLIER 54.5 -98.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.54 72.15 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.592 1.182 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.724 ' CD1' ' CD1' ' A' ' 441' ' ' LEU . 1.7 m-85 -102.25 159.73 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.87 ' N ' ' O ' ' A' ' 451' ' ' ILE . 1.4 t -104.06 -117.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.898 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 85.67 161.15 34.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 -35.5 3.05 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.608 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -109.61 -5.22 15.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.374 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.608 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 2.4 t 96.62 71.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.583 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 1.3 pm0 -166.16 26.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.898 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 1.9 mp -130.18 145.97 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.529 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -98.7 129.42 45.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.406 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.2 OUTLIER -97.37 163.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.612 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 35.9 t-20 -102.01 95.14 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.466 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 19.2 mp0 -60.72 -9.81 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.76 10.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 108.258 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.612 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 24.2 m -86.22 -32.15 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 74.3 m -115.61 -2.15 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -145.73 57.99 4.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.08 -6.02 17.48 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.0 OUTLIER 73.11 22.48 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 488' ' ' GLU . 2.9 pt20 43.39 -147.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.447 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.9 m-80 -99.1 41.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.92 25.74 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.541 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . 179.2 145.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -82.36 109.33 16.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.84 146.2 50.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 108.291 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.408 ' HB2' ' O ' ' A' ' 475' ' ' GLN . 10.1 mt -160.9 88.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.587 1.179 . . . . 0.0 109.22 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.61 138.84 57.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -125.86 -169.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.545 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -71.03 119.98 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.99 22.28 0.3 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.2 OUTLIER -168.5 153.23 6.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.753 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 9.4 p90 -124.06 161.15 26.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -140.83 136.97 32.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 14.3 p -128.15 112.43 14.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 17.4 mm -79.42 119.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -177.42 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 11.2 mmt -85.21 148.01 49.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 54.64 3.71 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -147.46 -40.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -101.95 171.28 7.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.514 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -154.08 -176.95 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 105.43 -173.86 20.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.428 HG13 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -79.43 -24.21 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.428 ' CD2' HG13 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -99.45 -7.87 25.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.6 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 22.3 m 60.85 15.21 5.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.45 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -107.49 6.53 28.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.514 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.5 t -88.39 104.81 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.23 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 491' ' ' THR . 17.2 t-20 -67.14 143.31 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 490' ' ' ASN . 13.7 t -38.46 157.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.33 150.36 24.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -138.54 24.5 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.42 -10.53 55.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.67 -14.89 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.3 m -109.22 97.61 7.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 4.6 m 63.6 91.56 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.216 . . . . 0.0 110.023 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.03 -22.2 14.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 40.13 57.39 2.41 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.561 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 0.9 OUTLIER -87.57 161.84 17.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.561 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 32.1 m170 69.76 -58.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 109.646 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 500' ' ' LEU . 12.7 p30 -85.31 4.03 36.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . 172.5 178.88 42.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 116.9 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.77 114.4 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.01 131.35 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.24 92.62 7.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -96.98 165.68 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.27 -65.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -47.74 -69.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -160.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -104.71 144.76 31.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.89 117.13 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.16 97.72 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -66.63 -176.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.38 142.49 24.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.459 ' HB2' ' CD2' ' A' ' 520' ' ' PHE . 18.4 Cg_endo -74.96 107.64 2.53 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.586 1.835 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 10.5 t -126.79 -39.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -60.05 -15.51 36.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 1.0 OUTLIER -82.92 9.53 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 520' ' ' PHE . 42.1 p 48.39 99.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.573 ' HA3' ' CZ ' ' A' ' 520' ' ' PHE . . . -157.59 -97.63 0.13 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.601 1.188 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.446 ' CD2' ' O ' ' A' ' 522' ' ' GLY . 0.1 OUTLIER 179.24 -179.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.598 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 6.2 mp 61.85 57.87 2.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 109.231 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 177.19 -64.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -139.03 178.98 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.71 151.18 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.489 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 18.0 t0 -87.75 78.26 8.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.503 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mt-10 -55.05 -14.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.08 24.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 108.254 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.489 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 20.0 t -76.28 -30.58 57.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.503 ' HG ' ' HA ' ' A' ' 415' ' ' GLU . 2.7 mt -46.84 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 176.01 33.08 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.96 89.53 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.44 118.2 66.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.382 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 438' ' ' CYS . 18.2 Cg_endo -74.92 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 71.9 m -59.76 -12.34 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 423' ' ' CYS . 2.3 mt-10 84.05 -66.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -161.03 -41.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.481 ' CB ' HG23 ' A' ' 471' ' ' ILE . . . -86.01 76.95 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.479 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . 173.68 -179.02 45.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -114.79 131.72 56.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 0.82 . . . . 0.0 109.211 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.413 ' SG ' ' HD2' ' A' ' 422' ' ' PRO . 0.3 OUTLIER -111.34 122.89 49.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 108.346 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.564 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -122.05 171.17 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 432' ' ' THR . 12.6 t30 -107.48 134.21 50.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -123.05 171.05 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.89 122.2 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.95 -44.67 3.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 6.3 m -132.59 174.47 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -104.46 146.14 29.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.193 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 430' ' ' ILE . 8.5 tt0 -113.88 150.69 33.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.46 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 3.5 t -144.18 125.37 14.6 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.562 ' N ' ' O ' ' A' ' 428' ' ' LYS . 44.3 mt-30 -70.81 149.51 46.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.9 m -82.5 158.45 23.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.554 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.1 OUTLIER -119.19 104.43 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.554 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 69.29 -94.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 110.245 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -128.33 76.35 0.41 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.524 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.9 m-85 -103.9 160.91 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.91 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.1 t -102.47 -121.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.786 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.44 162.63 37.28 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -30.64 6.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.633 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 31.2 mmm180 -116.67 -6.8 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.633 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.7 t 100.27 71.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.182 . . . . 0.0 108.301 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.526 ' C ' ' CD1' ' A' ' 451' ' ' ILE . 2.9 pm0 -163.03 21.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.91 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.8 mp -128.76 146.8 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 18.8 t70 -97.69 125.18 42.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.522 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.9 p -97.84 168.82 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.522 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 34.6 t-20 -101.9 105.83 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.522 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.3 pm0 -85.82 -16.85 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.77 10.56 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.535 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -76.44 -57.2 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.535 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 8.8 t -90.58 3.27 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.683 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.59 49.96 1.92 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.683 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.97 4.98 4.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.406 1.74 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.517 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 80.17 21.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.432 ' NE2' ' HB2' ' A' ' 486' ' ' HIS . 28.1 mt-30 69.03 -112.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -137.11 13.4 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.386 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.432 ' OD2' ' CD ' ' A' ' 488' ' ' GLU . 0.0 OUTLIER -118.37 43.65 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.517 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . 169.83 149.69 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.412 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.0 m -97.71 108.95 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . 0.464 ' CB ' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -70.39 133.29 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 108.359 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 475' ' ' GLN . 11.8 mt -126.46 88.04 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.01 121.07 13.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.79 -171.33 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.562 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.27 123.31 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 40.83 25.91 0.13 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -166.64 154.11 9.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.522 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.1 OUTLIER -142.89 151.69 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' LEU . 6.4 pt20 -144.08 134.77 24.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.412 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.9 OUTLIER -109.71 126.47 53.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.545 ' N ' ' CD1' ' A' ' 477' ' ' ILE . 1.8 mp -87.49 109.7 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -109.71 -176.74 3.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 19.5 mmt -84.28 151.84 60.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.02 4.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.76 -43.58 0.03 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -108.88 170.47 8.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.433 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -157.29 -179.96 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.41 -163.22 12.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -36.85 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.479 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -107.5 9.9 29.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 98.4 m 41.22 50.41 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' CD ' ' OD2' ' A' ' 464' ' ' ASP . 3.7 tp10 -126.73 0.65 6.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.651 1.219 . . . . 0.0 110.28 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.8 OUTLIER -90.09 129.63 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 491' ' ' THR . 14.1 p30 -75.3 92.5 2.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.385 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 490' ' ' ASN . 89.0 m 53.59 168.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.404 ' C ' ' OE1' ' A' ' 493' ' ' GLU . 0.6 OUTLIER -89.71 166.65 13.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 36.7 mp0 -148.82 30.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.569 ' HB2' ' CD2' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -140.47 31.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.24 -15.14 61.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -41.58 8.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.09 102.24 45.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.933 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.478 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.08 -12.67 21.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 77.4 m 70.98 -54.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.365 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.449 ' N ' ' O ' ' A' ' 498' ' ' PRO . 0.2 OUTLIER 78.96 -157.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -81.54 5.37 18.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.659 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.29 2.15 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 500' ' ' LEU . . . 175.0 159.74 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.475 ' HB3' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -116.04 113.77 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.1 OUTLIER -78.64 104.65 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.245 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' ' CD2' ' A' ' 512' ' ' PHE . 1.4 mp -78.29 144.17 36.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.43 ' CG ' ' CE1' ' A' ' 512' ' ' PHE . 14.1 t0 -105.25 81.67 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -82.98 161.68 21.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 0.3 OUTLIER -82.38 71.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.4 OUTLIER 163.98 -40.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.5 175.43 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.238 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.569 ' CD2' ' HB2' ' A' ' 494' ' ' CYS . 0.7 OUTLIER -104.22 145.23 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.32 108.89 10.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 5.1 t -75.98 106.38 7.54 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 504' ' ' ARG . 3.3 pt-20 -92.44 -162.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.54 142.2 24.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.525 ' HG2' ' CE1' ' A' ' 520' ' ' PHE . 18.4 Cg_endo -74.95 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.536 1.809 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.428 ' O ' ' CG2' ' A' ' 518' ' ' THR . 12.1 t -174.35 52.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 110.37 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -149.52 -55.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' A' ' 520' ' ' PHE . 34.2 p90 -39.15 99.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 29.0 p -63.9 105.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.614 1.197 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 523' ' ' HIS . . . -177.82 -106.6 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 522' ' ' GLY . 0.0 OUTLIER 168.95 97.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.557 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.28 48.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 40.1 t -177.16 161.84 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.229 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -138.29 -179.11 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.43 HG13 ' OE1' ' A' ' 415' ' ' GLU . 0.5 OUTLIER -90.54 155.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -87.99 77.14 8.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.455 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.0 mp0 -58.44 -15.77 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.13 -19.03 44.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.7 t -104.27 -20.35 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.455 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -68.75 -81.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -160.46 25.23 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.35 77.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 109.358 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.414 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t30 -116.0 106.07 50.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.482 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.3 Cg_endo -74.99 -40.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.429 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 84.0 m -50.47 -18.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.306 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.7 mt-10 77.59 -75.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.551 ' CE1' HG21 ' A' ' 471' ' ' ILE . 1.5 p80 -143.04 -43.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.422 ' O ' HD13 ' A' ' 441' ' ' LEU . . . -97.82 108.12 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.11 169.88 19.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -103.47 121.14 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.414 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -111.56 115.42 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 108.286 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.585 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.38 170.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.372 1.045 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 432' ' ' THR . 9.6 t30 -106.14 132.26 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -122.5 169.3 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -76.94 121.39 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.231 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.02 -43.77 3.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 432' ' ' THR . 11.1 m -132.86 168.24 18.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -101.6 144.94 29.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.553 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.9 tt0 -108.62 144.6 36.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.454 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 19.0 t -142.26 125.35 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' A' ' 428' ' ' LYS . 5.8 mt-30 -86.69 160.64 18.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.8 m -84.24 174.64 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.6 HD13 ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -155.8 126.59 6.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.415 ' NE2' HD22 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 67.26 -98.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -142.18 71.21 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.6 ' CE1' HD13 ' A' ' 441' ' ' LEU . 2.5 m-85 -104.59 160.64 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.807 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.4 t -103.32 -121.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.752 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.13 155.61 19.48 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.27 9.28 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.396 1.735 . . . . 0.0 110.965 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.6 mmt180 -109.72 -6.63 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.0 OUTLIER 92.76 60.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 108.264 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.493 ' OE1' HG12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -158.08 24.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.807 ' O ' ' N ' ' A' ' 445' ' ' THR . 32.8 mm -124.42 147.88 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.0 122.48 42.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.22 166.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.502 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 49.7 t-20 -102.24 109.45 21.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.2 pm0 -86.53 -19.49 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 3.0 p -87.13 8.34 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.539 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -73.64 -57.8 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.539 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.4 OUTLIER -95.85 4.87 52.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.672 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.51 50.38 1.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.672 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -74.97 4.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 1.0 OUTLIER 73.31 20.1 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.369 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.415 ' NE2' ' HB2' ' A' ' 488' ' ' GLU . 0.5 OUTLIER 78.12 -173.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.24 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -68.29 -42.45 79.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 465' ' ' ALA . 1.9 t70 -73.63 64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 464' ' ' ASP . . . 163.35 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.3 m -86.09 122.55 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -81.55 123.44 28.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.36 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 11.9 mt -123.19 79.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 120.9 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.5 -177.0 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.92 122.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.414 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.74 28.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.571 1.17 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -165.84 154.99 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.16 154.91 45.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -143.82 134.42 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 17.7 p -115.97 133.46 56.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.328 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 10.9 mm -96.46 157.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.55 166.2 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 3.5 mmt -112.94 150.11 42.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.32 5.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -168.77 -40.67 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.577 1.173 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.577 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 34.1 m-85 -120.22 170.29 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.479 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.37 -179.06 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.64 -161.29 12.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.709 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -80.55 -34.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.709 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 9.8 m170 -107.4 -5.7 17.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.553 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.438 ' HA ' ' C ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 59.87 34.35 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.257 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.455 ' O ' HG23 ' A' ' 509' ' ' ILE . 40.2 tp10 -103.61 -3.58 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.517 ' HA ' ' CG2' ' A' ' 509' ' ' ILE . 0.7 OUTLIER -88.7 117.2 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.577 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 18.5 p30 -77.27 89.54 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.526 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.7 OUTLIER 40.36 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.441 ' N ' ' CG2' ' A' ' 491' ' ' THR . 1.0 OUTLIER -72.48 175.76 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -134.5 27.81 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.01 32.98 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.632 1.208 . . . . 0.0 108.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.91 -14.08 61.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.2 m -95.31 -63.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.78 93.11 36.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.98 89.35 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.4 m -68.33 58.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.624 ' O ' ' CG ' ' A' ' 501' ' ' HIS . 0.0 OUTLIER -100.87 113.44 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.624 ' CG ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m170 157.14 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -102.52 4.28 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.361 1.038 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -140.39 157.75 25.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -119.86 113.33 20.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 514' ' ' CYS . 1.7 m -72.03 110.46 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.47 131.43 35.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -84.18 91.6 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -107.92 139.56 42.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.517 ' CG2' ' HA ' ' A' ' 489' ' ' VAL . 2.4 pp -48.39 108.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.461 ' CA ' ' OE1' ' A' ' 493' ' ' GLU . 23.0 m-20 54.49 58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 510' ' ' ASN . 2.1 mt-10 164.9 137.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.456 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 13.1 p90 -121.55 145.16 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.42 108.52 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 29.4 m -82.24 67.21 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.408 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.2 OUTLIER -68.09 -147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -98.7 142.47 24.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 22.2 m -158.55 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -86.42 39.98 3.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 522' ' ' GLY . 2.0 p90 -83.8 5.7 24.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 520' ' ' PHE . 63.3 p 36.6 79.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.475 ' O ' ' CE1' ' A' ' 520' ' ' PHE . . . 151.05 96.79 0.15 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -39.81 115.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 109.55 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -155.76 -75.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 154.05 20.54 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -140.05 179.58 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.381 1.051 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.49 148.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.466 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 14.8 t0 -89.16 78.74 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.449 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mp0 -57.33 -10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -92.74 -18.08 23.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 108.338 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.466 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 9.1 t -83.14 -27.8 29.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.373 1.045 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.449 ' HG ' ' HA ' ' A' ' 415' ' ' GLU . 5.2 mt -40.64 -50.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 143.51 -13.66 2.25 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -88.69 77.82 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.402 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.6 t30 -81.95 115.1 55.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.58 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.98 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.56 1.821 . . . . 0.0 111.068 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HB3' ' HA3' ' A' ' 427' ' ' GLY . 3.2 m -45.71 -20.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 425' ' ' HIS . 15.7 mt-10 85.89 -72.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 424' ' ' GLU . 60.6 m-70 -159.98 -40.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.478 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -95.77 81.73 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.489 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 172.6 172.66 38.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.6 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -110.38 140.21 44.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.402 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -116.52 108.62 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 108.286 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.577 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.2 171.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.2 t30 -105.16 137.45 42.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.493 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -128.02 173.75 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.48 122.52 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 80.86 -45.23 3.12 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.3 m -133.32 174.03 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.521 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 52.5 p90 -100.07 154.14 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.509 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 7.6 tt0 -114.88 149.51 37.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.6 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.0 t -137.99 134.05 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 428' ' ' LYS . 78.0 mt-30 -79.23 143.2 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.56 138.66 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 108.365 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.404 ' O ' ' HB2' ' A' ' 442' ' ' GLN . 0.1 OUTLIER -107.86 100.64 9.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.42 ' HB3' ' O ' ' A' ' 472' ' ' GLY . 0.0 OUTLIER 69.95 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -131.83 76.29 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.553 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 0.4 OUTLIER -102.4 161.26 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 111.083 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.82 ' N ' ' O ' ' A' ' 451' ' ' ILE . 5.0 t -104.58 -130.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.82 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.03 159.17 28.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 19.7 mmm180 -119.1 7.25 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.542 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 82.71 59.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.58 ' HB2' ' HB2' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -146.31 12.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.82 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.6 mp -124.8 136.81 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.553 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 7.9 t0 -95.48 128.63 42.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.513 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 2.2 p -96.31 169.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.663 1.227 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.513 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 22.6 t-20 -101.57 104.18 15.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 10.8 pm0 -84.18 -14.34 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.4 t -90.52 6.97 41.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 108.349 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -77.36 -59.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.516 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 13.6 m -96.34 5.29 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.681 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.5 50.27 2.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.92 3.05 5.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.566 ' HA ' ' CD2' ' A' ' 486' ' ' HIS . 1.3 m 72.26 21.43 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.581 1.176 . . . . 0.0 108.373 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 13.1 mt-30 78.91 -156.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 3.7 p30 -94.83 -16.3 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.79 45.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -179.31 124.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -68.41 109.46 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.03 129.76 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 108.236 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 13.4 mt -143.9 81.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.204 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 455' ' ' GLU . 5.2 t70 -67.35 127.08 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -117.19 -175.18 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.42 122.65 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.42 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 40.94 25.63 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -166.35 154.72 10.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.61 151.86 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.95 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.708 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -136.99 141.42 42.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 4.9 p -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.708 ' N ' HE22 ' A' ' 475' ' ' GLN . 2.7 mm -68.74 157.18 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.266 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.27 167.15 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 44.4 mtp -106.25 151.43 40.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 60.19 5.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.49 -39.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 482' ' ' TYR . 7.0 m-85 -125.04 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.463 ' O ' HG23 ' A' ' 489' ' ' VAL . 3.5 tt0 -146.01 -178.92 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.69 -154.77 17.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.093 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.532 HG11 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -78.95 -38.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.561 0.801 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.566 ' CD2' ' HA ' ' A' ' 461' ' ' CYS . 61.3 m170 -106.28 -0.31 24.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 m 52.23 51.85 15.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.61 1.194 . . . . 0.0 108.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -131.55 4.01 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.487 HG23 ' O ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -89.89 129.79 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.628 1.205 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.4 p30 -67.95 91.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.4 OUTLIER 52.87 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.26 162.95 22.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.449 ' CB ' ' HB2' ' A' ' 512' ' ' PHE . 1.5 mp0 -143.46 28.66 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.5 t -87.84 -11.25 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.95 71.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 496' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 497' ' ' SER . 0.6 OUTLIER -86.89 109.43 19.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 496' ' ' SER . 62.1 p 38.57 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.408 ' C ' ' SG ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 503' ' ' GLY . 0.5 OUTLIER 43.14 58.58 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 502' ' ' ASN . 33.7 mt -63.9 144.77 56.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.409 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.7 m-70 69.85 -59.34 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.464 ' HA ' ' CE2' ' A' ' 520' ' ' PHE . 4.6 m120 -71.05 -6.44 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . -171.73 158.37 29.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -113.99 125.87 54.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.53 139.74 57.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 513' ' ' GLN . 4.8 tp -125.77 131.44 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -97.81 97.54 9.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -107.68 156.34 19.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 489' ' ' VAL . 3.7 pt -88.3 65.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.87 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -171.22 -165.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -115.52 145.14 42.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -116.75 131.18 57.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 44.5 t -95.87 86.65 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 504' ' ' ARG . 2.8 mm-40 -48.95 165.18 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 p -111.9 134.22 21.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -162.16 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.523 1.802 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 9.2 t -157.25 47.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -129.68 -42.66 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.546 ' O ' ' CG2' ' A' ' 521' ' ' THR . 78.1 m-85 -63.81 -40.66 97.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.546 ' CG2' ' O ' ' A' ' 520' ' ' PHE . 13.8 t 53.05 167.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 109.0 -53.04 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.91 -51.7 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.72 130.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -133.31 -64.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.1 -176.51 3.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.23 158.22 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 417' ' ' SER . 45.6 t0 -89.03 79.69 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.511 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.2 mp0 -52.77 -17.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.426 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -85.89 -23.9 26.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 414' ' ' ASP . 25.5 t -74.06 -28.11 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.511 ' HG ' ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -53.52 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -172.2 26.83 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.47 89.66 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.386 0.698 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.426 ' OD1' ' SG ' ' A' ' 416' ' ' CYS . 1.6 t30 -114.92 105.09 53.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 17.9 Cg_endo -75.1 -38.96 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.561 1.821 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 30.1 m -49.51 -19.98 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 108.358 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 5.8 mm-40 68.38 -108.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.527 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 0.7 OUTLIER -124.29 11.69 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.528 ' O ' ' CE2' ' A' ' 444' ' ' TYR . . . -149.9 91.92 1.84 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.597 1.186 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.72 177.59 38.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.117 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.2 OUTLIER -117.73 111.43 19.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.384 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 115.34 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 108.317 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -117.2 169.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 432' ' ' THR . 7.1 t30 -105.03 134.29 48.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -123.82 171.9 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.31 122.35 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.61 -45.3 3.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.6 m -130.58 172.85 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -105.65 138.31 42.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 430' ' ' ILE . 7.8 tt0 -102.28 145.07 29.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.492 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.7 t -143.19 123.96 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 108.287 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 428' ' ' LYS . 26.9 mt-30 -78.28 159.21 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 158.36 15.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.37 111.45 23.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 54.83 -103.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -109.43 69.78 0.21 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.578 ' CE1' ' HB2' ' A' ' 452' ' ' ASP . 0.6 OUTLIER -100.54 158.36 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.353 0.678 . . . . 0.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.796 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -103.06 -124.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.801 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.92 157.69 14.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.82 9.74 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.819 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 10.1 mmt180 -107.43 -9.93 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.6 t 93.33 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.543 ' OE1' HG12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -148.86 12.1 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.801 ' HB ' ' N ' ' A' ' 446' ' ' GLY . 5.9 mm -110.57 148.62 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.578 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -101.55 120.18 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.482 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.28 164.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.392 1.058 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.556 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 62.2 t-20 -101.47 90.95 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.512 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.7 pm0 -61.48 -13.21 19.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -2.13 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.556 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 19.4 m -83.38 -26.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 -4.74 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.53 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -149.26 58.76 3.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.53 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.91 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.593 1.838 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.38 18.29 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.355 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER 83.21 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -77.61 -38.15 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -76.58 57.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.48 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -179.79 128.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 48.1 m -80.01 110.59 15.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 131.26 43.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.417 ' CB ' ' HG2' ' A' ' 475' ' ' GLN . 6.2 mt -134.56 77.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' HB2' ' OD1' ' A' ' 454' ' ' ASN . 8.7 t0 -65.14 133.45 51.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -137.87 -171.61 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -52.73 116.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 29.81 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 471' ' ' ILE . 22.1 tt0 -162.67 154.83 18.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.75 143.82 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 468' ' ' LEU . 10.6 pt20 -131.09 134.79 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 23.0 p -117.41 117.86 30.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.246 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.437 HG23 ' N ' ' A' ' 478' ' ' CYS . 26.3 mm -81.58 141.05 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . 0.437 ' N ' HG23 ' A' ' 477' ' ' ILE . 47.4 m -101.25 151.08 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.374 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.8 151.7 55.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.13 3.77 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.505 1.792 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 174.48 -33.48 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -110.88 169.93 8.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.4 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -156.93 179.49 9.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.8 -168.56 12.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.475 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -106.22 11.31 31.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.626 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.1 m 42.38 50.75 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -128.26 2.22 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.392 1.058 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.86 129.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.413 ' ND2' HG13 ' A' ' 509' ' ' ILE . 13.5 t30 -73.19 129.61 38.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 7.9 t -83.11 144.39 29.9 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.88 147.36 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.457 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.0 OUTLIER -125.24 2.64 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 25.0 m -102.73 54.31 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 108.268 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.4 77.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 496' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' SER . 3.9 t -156.72 -138.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' SER . 0.4 OUTLIER 35.31 74.76 0.53 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 1.89 7.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 503' ' ' GLY . 2.7 m 56.46 40.2 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' HB3' ' A' ' 501' ' ' HIS . 0.2 OUTLIER -49.58 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.571 ' HA ' ' CZ ' ' A' ' 520' ' ' PHE . 0.0 OUTLIER 82.6 -42.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.579 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.566 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 0.8 OUTLIER -67.92 -20.3 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.393 1.058 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . 144.61 -150.55 22.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.65 146.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 0.784 . . . . 0.0 110.257 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 42.7 t -91.77 133.3 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 108.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.58 135.25 55.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -99.4 96.19 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 510' ' ' ASN . 31.3 mtpt -99.25 138.74 35.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.489 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.4 mp -63.43 79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.0 m-20 157.29 -39.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.06 170.83 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.457 ' CD1' ' HB3' ' A' ' 493' ' ' GLU . 37.1 p90 -106.2 126.16 51.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.59 116.47 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.95 90.04 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 167.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.8 t -97.99 138.73 20.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.467 ' CG ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo -74.86 -163.89 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 10.1 t -175.58 53.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.469 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -155.91 -50.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.571 ' CZ ' ' HA ' ' A' ' 501' ' ' HIS . 27.9 m-85 -57.21 100.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 0.804 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 70.7 p -58.06 164.3 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 70.12 60.31 4.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.44 171.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.784 . . . . 0.0 109.552 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.5 mt -150.72 133.0 15.45 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 1.2 m -46.15 -60.78 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.248 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.9 179.3 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.407 ' CG2' HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.61 146.22 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.0 78.35 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.476 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.3 mp0 -53.35 -19.41 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.445 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.4 OUTLIER -78.73 -23.43 45.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.5 t -98.52 -17.87 18.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 4.9 mt -76.11 -84.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -159.82 24.58 0.3 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.23 77.58 1.64 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.59 107.29 36.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.95 -32.7 5.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -41.91 -27.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.304 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 24.5 mt-10 85.34 -63.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.555 ' NE2' ' CG2' ' A' ' 471' ' ' ILE . 0.3 OUTLIER -161.13 -41.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.453 ' H ' ' CD2' ' A' ' 425' ' ' HIS . . . -106.32 105.4 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.416 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 160.78 164.13 15.15 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.623 1.202 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.505 ' O ' ' N ' ' A' ' 439' ' ' GLN . 3.0 ttmt -92.78 129.3 38.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 0.695 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.405 ' O ' ' SG ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -118.64 121.75 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 108.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.557 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -120.26 169.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.9 t30 -109.3 136.39 48.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 0.0 109.229 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.46 170.42 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.348 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.25 123.1 25.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.38 -44.72 3.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.8 t -133.17 173.76 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.418 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 24.6 p90 -106.82 161.27 14.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -125.66 143.92 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 450' ' ' GLU . 46.1 t -142.25 125.06 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.505 ' N ' ' O ' ' A' ' 428' ' ' LYS . 12.7 mt-30 -86.46 148.8 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 1.8 p -86.87 171.24 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 108.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.628 HD11 ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.79 149.46 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.447 ' NE2' ' CD2' ' A' ' 441' ' ' LEU . 0.9 OUTLIER 53.85 -100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -140.01 75.1 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.628 ' CD1' HD11 ' A' ' 441' ' ' LEU . 1.9 m-85 -103.16 161.67 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.903 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.2 t -102.45 -122.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.46 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.797 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 77.97 155.05 7.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . 0.573 ' HD2' HD12 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -75.15 -21.51 15.52 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 16.2 mmt-85 -112.94 -8.55 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 90.73 56.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.464 ' HB3' ' SG ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -149.46 16.78 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.903 ' O ' ' N ' ' A' ' 445' ' ' THR . 3.2 mp -120.34 146.07 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.54 ' N ' HG23 ' A' ' 451' ' ' ILE . 14.5 t70 -98.97 124.6 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -98.5 165.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 1.6 t-20 -98.11 134.81 40.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.487 ' OE2' ' N ' ' A' ' 455' ' ' GLU . 2.4 pm0 -120.15 -8.51 9.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.571 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.8 p -105.75 3.91 29.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 108.191 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -78.94 -52.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.5 OUTLIER -98.93 -0.86 41.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -139.07 54.76 6.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.07 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.592 1.838 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 462' ' ' GLN . 9.6 m 80.36 1.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.58 ' O ' ' O ' ' A' ' 461' ' ' CYS . 1.6 pp0? 34.29 -162.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 0.0 OUTLIER 79.56 -40.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.5 OUTLIER 150.75 -19.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.234 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.481 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -40.49 136.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.415 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.2 m -82.8 109.2 16.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -69.14 121.75 17.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 14.1 mt -125.45 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.62 121.44 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.03 -179.05 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -69.91 117.58 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.14 1.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 470' ' ' GLN . 17.7 pt-20 -164.81 154.2 13.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.571 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -142.84 155.06 44.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.516 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.6 OUTLIER -144.6 138.35 27.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.415 ' HA ' ' O ' ' A' ' 466' ' ' THR . 25.8 p -117.82 122.52 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.254 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.516 ' N ' HE22 ' A' ' 475' ' ' GLN . 1.1 mm -85.5 110.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.07 169.25 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.379 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 28.1 mmt -83.1 151.35 63.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.06 4.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.28 -43.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -99.31 166.98 10.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 111.029 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.405 ' C ' ' HA ' ' A' ' 487' ' ' CYS . 0.3 OUTLIER -158.02 178.32 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 110.61 -174.45 17.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.591 1.182 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.559 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -69.84 -37.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.5 0.764 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.559 ' CD2' HG12 ' A' ' 485' ' ' VAL . 64.8 m170 -108.04 15.03 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.432 ' HB3' ' ND2' ' A' ' 463' ' ' ASN . 1.8 t 42.14 43.23 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.383 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.52 0.02 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -97.89 127.69 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.41 ' CG ' ' OD1' ' A' ' 507' ' ' ASP . 36.0 t-20 -73.61 124.28 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 23.5 m -58.07 129.19 40.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -100.59 137.29 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -126.3 8.37 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.1 p -132.89 39.23 3.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.208 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.54 -23.23 66.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.18 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.1 t -134.5 53.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.3 m -167.24 70.21 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 1.02 8.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.6 OUTLIER 67.65 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 108.256 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 502' ' ' ASN . 13.6 mt 61.58 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.6 m-70 69.36 -58.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.4 OUTLIER -75.71 -20.48 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.504 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 148.94 -156.97 27.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -129.44 144.52 51.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 110.234 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.72 129.68 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -114.98 133.95 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.41 ' OD1' ' CG ' ' A' ' 490' ' ' ASN . 33.6 t70 -89.01 102.01 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 164.53 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 3.8 mt -83.55 66.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.393 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 6.5 t30 160.9 -39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.375 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -161.87 -170.12 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 512' ' ' PHE . 12.4 p90 -122.27 129.71 52.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.72 114.54 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.9 88.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 108.304 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 504' ' ' ARG . 0.7 OUTLIER -51.43 176.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -96.41 139.48 21.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.382 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.504 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo -74.99 162.2 37.54 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.43 1.753 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 15.3 t -165.91 -40.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -95.81 17.04 60.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -114.86 -58.21 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.401 HG22 ' N ' ' A' ' 522' ' ' GLY . 7.4 t -103.95 -50.91 3.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.401 ' N ' HG22 ' A' ' 521' ' ' THR . . . 108.69 -178.79 21.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 m170 55.27 168.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 0.709 . . . . 0.0 109.629 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -55.41 125.33 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -64.4 116.79 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -129.17 -178.23 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.64 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 417' ' ' SER . 12.6 t0 -90.07 78.74 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.497 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.2 mp0 -54.27 -16.56 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.452 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.5 t -85.51 -23.61 27.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.35 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 414' ' ' ASP . 17.2 t -76.84 -32.52 57.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.372 1.045 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.497 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -64.23 -69.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -177.78 38.88 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . 0.452 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -126.99 76.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 105.23 57.05 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.456 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -75.0 -37.21 2.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.412 ' CB ' ' HA3' ' A' ' 427' ' ' GLY . 0.0 OUTLIER -69.93 -3.34 15.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.123 . . . . 0.0 108.226 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 65.42 -100.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -118.5 -32.92 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -103.18 108.05 19.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 423' ' ' CYS . . . 148.17 165.95 12.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.422 1.076 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.467 ' HD2' ' CD1' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -96.65 137.99 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.419 ' HA ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -129.43 120.44 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.521 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -121.93 169.29 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 432' ' ' THR . 5.3 t30 -101.43 130.18 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.447 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -118.63 172.22 7.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.75 121.81 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.5 -44.75 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.365 1.041 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 14.4 m -132.16 174.88 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.427 ' CD1' ' HB2' ' A' ' 415' ' ' GLU . 12.7 p90 -102.71 153.82 19.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.7 tt0 -115.62 147.23 41.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 8.4 t -142.11 129.67 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 428' ' ' LYS . 24.2 mt-30 -88.28 154.19 20.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.4 m -84.17 164.58 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.7 ' CD1' ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -150.3 138.84 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.513 ' HG2' ' CD2' ' A' ' 441' ' ' LEU . 2.6 mm-40 60.51 -96.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.25 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -144.36 71.51 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.7 ' CD1' ' CD1' ' A' ' 441' ' ' LEU . 2.5 m-85 -103.37 158.46 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.905 ' N ' ' O ' ' A' ' 451' ' ' ILE . 1.3 t -105.88 -117.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.884 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.0 157.55 29.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.408 1.068 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -25.1 12.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 30.1 mmm180 -118.05 -6.52 10.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.2 t 96.57 68.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 108.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.616 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 1.1 pm0 -166.19 27.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.179 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.905 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.8 mp -131.21 147.02 32.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.565 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -96.68 128.75 43.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.512 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.77 163.3 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.462 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 44.3 t-20 -82.69 105.28 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.562 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 0.5 OUTLIER -79.47 -18.16 52.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -97.38 19.06 13.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 108.278 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.6 OUTLIER -90.29 -57.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.531 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.4 OUTLIER -93.51 2.83 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.91 52.59 3.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.9 OUTLIER 72.04 21.26 4.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.7 OUTLIER 81.95 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -80.71 -34.36 34.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -80.78 59.01 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.465 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . 173.07 130.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.8 m -83.41 111.16 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 110.356 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -76.19 141.45 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 12.6 mt -140.81 96.42 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.76 120.81 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -111.04 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.567 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.7 OUTLIER -75.79 112.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 53.61 18.33 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 7.1 pt-20 -165.05 159.84 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.577 ' CE2' ' HB2' ' A' ' 459' ' ' ASN . 8.8 p90 -133.08 160.77 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.02 134.66 24.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 1.6 p -117.43 143.73 45.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 3.0 mm -96.85 141.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 80.5 m -101.49 147.42 26.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 108.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.02 152.51 42.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 83.23 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 172.86 -31.62 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 21.5 m-85 -121.57 171.13 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 0.82 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -144.91 -177.51 5.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.485 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 106.01 -177.56 22.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.565 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.62 -19.95 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.565 ' CD2' HG13 ' A' ' 485' ' ' VAL . 18.3 m170 -107.55 9.34 29.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 3.3 m 43.37 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.432 ' N ' ' C ' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -117.49 5.62 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.485 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.9 t -89.15 102.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 1.5 p30 -64.44 90.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 52.63 165.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.4 ' OD2' ' SG ' ' A' ' 494' ' ' CYS . 24.2 t70 -84.35 143.83 29.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -5.52 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.4 ' SG ' ' OD2' ' A' ' 492' ' ' ASP . 1.5 p -118.44 38.32 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.9 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -75.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.92 104.54 18.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.425 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.03 -6.19 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER 39.97 57.48 2.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.39 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 502' ' ' ASN . 1.3 pt? -75.58 161.1 29.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.4 m-70 69.39 -59.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.666 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.9 t30 -81.31 -7.49 59.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.04 47.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.26 112.97 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.5 OUTLIER -76.02 121.37 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.2 mp -98.01 131.26 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.404 ' CG ' ' CG1' ' A' ' 489' ' ' VAL . 6.4 t0 -86.89 95.95 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -103.06 148.3 25.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.48 ' CG2' ' HA ' ' A' ' 489' ' ' VAL . 1.6 pt -82.02 63.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.01 -35.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -163.64 -161.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 512' ' ' PHE . 2.3 p90 -130.37 145.02 51.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.075 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.1 OUTLIER -123.23 114.32 20.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.335 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 49.7 t -93.12 69.42 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.229 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.12 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 110.176 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.56 148.63 34.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 108.259 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo -75.02 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 518' ' ' THR . 1.4 m -167.4 63.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -145.3 -44.98 0.04 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -41.39 137.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 38.41 81.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 86.95 -115.86 4.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.18 83.13 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 0.752 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -171.25 141.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 41.6 t -83.95 69.15 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -144.43 177.43 8.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.41 HG11 ' OE1' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -82.98 147.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.45 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 21.9 t0 -91.79 78.44 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.508 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.6 mp0 -55.84 -18.81 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.45 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -82.76 -15.75 50.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 108.279 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -109.79 -10.69 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.939 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.508 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.7 mt -73.86 -90.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.458 1.099 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.76 1.05 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.78 89.54 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -111.74 104.5 56.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.14 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.613 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.6 Cg_endo -74.96 -37.79 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.42 1.747 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.0 m -44.45 -24.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 6.7 mt-10 76.01 -70.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -151.95 -44.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . . . . . . . . . . . -105.48 100.19 9.78 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 163.88 169.29 27.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.5 OUTLIER -102.31 137.79 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 0.717 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.43 ' N ' ' HD2' ' A' ' 428' ' ' LYS . 0.1 OUTLIER -121.66 119.11 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.568 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -122.85 169.11 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 20.5 t30 -108.94 134.87 51.03 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -125.99 163.86 22.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.381 1.05 . . . . 0.0 110.348 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.14 123.58 23.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.64 -45.09 3.33 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 432' ' ' THR . 13.4 t -133.22 170.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.613 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -104.6 155.02 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -120.31 143.23 48.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 1.9 t -143.44 126.37 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 428' ' ' LYS . 38.2 mt-30 -79.56 160.31 26.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.34 146.0 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -105.65 114.6 28.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.48 -93.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -135.56 77.27 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.594 1.184 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.575 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.8 m-85 -102.85 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.881 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -101.17 -123.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.831 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.46 165.65 39.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.055 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 5.2 mmt180 -113.33 0.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.625 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.7 OUTLIER 92.82 68.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 108.369 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.555 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 0.3 OUTLIER -157.23 17.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.881 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.9 mp -127.27 144.12 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.575 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 4.4 t0 -93.09 131.8 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.479 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.23 157.29 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.561 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 51.1 t30 -102.41 88.57 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 10.4 mp0 -55.58 -17.48 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.42 ' HB3' ' OD1' ' A' ' 454' ' ' ASN . 51.2 t -70.35 -6.38 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 108.368 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.561 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 12.6 m -89.17 -23.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.347 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 28.2 m -118.71 -2.82 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.568 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -154.99 60.77 2.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.02 -7.08 18.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.454 1.765 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.546 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.53 22.86 2.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.495 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 2.0 pt20 47.9 -147.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.495 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.6 m-80 -102.34 42.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 465' ' ' ALA . 19.8 m-20 -145.45 42.22 1.26 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.546 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . 168.18 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.5 m -69.51 108.59 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 146.31 44.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.437 ' HB2' ' HG3' ' A' ' 475' ' ' GLN . 8.2 mt -159.6 87.16 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.69 145.14 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -135.02 -172.68 3.11 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.69 120.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.68 24.13 0.14 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.115 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.24 154.35 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 455' ' ' GLU . 13.1 p90 -127.9 158.34 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.567 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -140.35 147.34 39.69 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.432 1.083 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.496 ' CA ' ' NE2' ' A' ' 475' ' ' GLN . 8.3 p -138.99 126.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.567 ' N ' HE22 ' A' ' 475' ' ' GLN . 4.9 mm -85.53 115.64 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -175.93 3.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 35.9 mtt -87.53 148.83 45.12 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.612 1.195 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.62 3.7 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -145.53 -42.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -104.55 171.19 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.989 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.553 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 1.7 tt0 -155.23 -175.5 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.445 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 108.3 -178.12 21.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.614 1.196 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.549 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -72.53 -23.94 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.428 0.722 . . . . 0.0 109.363 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.549 ' CD2' HG12 ' A' ' 485' ' ' VAL . 45.2 m170 -104.65 3.81 32.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.564 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.8 m 49.5 23.67 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.448 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -114.94 7.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.359 1.037 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.553 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.3 t -88.51 116.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.603 1.189 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' A' ' 491' ' ' THR . 27.8 t-20 -67.11 143.71 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 490' ' ' ASN . 1.6 m -37.55 157.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 170.76 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.38 20.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 4.6 p -107.85 35.94 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.242 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.59 -17.13 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -69.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.47 96.26 39.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.33 10.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.69 74.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 108.203 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 502' ' ' ASN . 70.5 mt -95.23 162.97 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.8 m-70 69.14 -59.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.1 OUTLIER -84.67 -2.77 57.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -173.35 171.14 44.26 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -129.24 114.15 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 110.385 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.6 OUTLIER -74.0 121.24 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -100.35 131.76 46.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 490' ' ' ASN . 3.3 t0 -95.95 90.17 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.6 mmtt -85.82 153.03 22.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.5 pp -69.81 62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.608 1.192 . . . . 0.0 109.287 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.4 t30 170.99 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 179.11 6.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.08 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -105.49 145.0 31.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.11 117.43 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.47 104.36 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.0 OUTLIER -90.84 -150.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -98.4 148.44 34.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.99 36.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.401 1.737 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 14.4 t -157.3 37.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.452 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 176.85 38.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.411 ' CB ' ' HA ' ' A' ' 501' ' ' HIS . 22.3 m-85 -145.35 16.66 1.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 111.047 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.79 162.09 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -42.33 -59.38 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -162.74 -179.73 7.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.664 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.7 mp 70.64 152.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.7 t -47.24 -60.38 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -128.52 -178.14 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.59 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 417' ' ' SER . 21.1 t0 -91.25 79.64 5.66 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.519 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.4 mp0 -52.9 -18.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.474 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.2 t -84.19 -21.68 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 414' ' ' ASP . 9.3 t -82.17 -29.71 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.519 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -65.33 -70.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -176.25 34.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . 0.474 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.23 75.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.18 104.2 52.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.488 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.99 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.611 1.848 . . . . 0.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.437 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.5 m -49.72 -18.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.233 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.488 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.7 mt-10 73.9 -63.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -166.32 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.579 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . -88.88 74.68 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 177.95 171.9 41.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.0 126.82 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -118.97 122.03 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.22 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.564 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -123.25 169.5 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 432' ' ' THR . 8.4 t30 -102.39 133.72 46.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.492 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -122.99 172.21 8.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.0 122.52 25.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.8 -44.79 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 7.1 m -132.79 173.32 11.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -102.25 152.23 21.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -113.94 144.5 42.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.481 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 24.0 t -143.71 124.93 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.54 ' N ' ' O ' ' A' ' 428' ' ' LYS . 9.0 mt-30 -85.86 158.29 19.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 6.8 m -82.68 156.1 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.416 ' O ' ' HB2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.08 100.2 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.422 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 15.0 mm-40 66.97 -99.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -116.65 69.0 0.29 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.579 ' CZ ' ' O ' ' A' ' 426' ' ' ALA . 1.1 m-85 -101.86 159.38 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.775 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -104.14 -123.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.758 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.51 156.74 23.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -28.65 8.94 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.582 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 48.3 mmm-85 -110.01 -8.95 14.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.1 t 95.84 61.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.496 ' OE1' HG12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -156.31 21.68 0.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.625 1.203 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 445' ' ' THR . 27.8 mm -121.6 148.46 25.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.57 121.87 42.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.88 167.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.526 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 54.3 t-20 -102.06 108.61 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.4 pm0 -85.74 -17.84 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.17 . . . . 0.0 110.219 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.5 p -90.35 6.81 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.533 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -75.48 -58.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.533 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 1.0 OUTLIER -98.06 4.76 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.029 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.669 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -139.8 51.4 2.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.669 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -74.98 8.96 2.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 462' ' ' GLN . 0.8 OUTLIER 75.1 2.06 3.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.626 ' O ' ' O ' ' A' ' 461' ' ' CYS . 2.1 pp0? 34.61 -164.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.582 ' ND2' ' H ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 77.36 -44.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.9 OUTLIER 152.06 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.208 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.582 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -38.39 147.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.4 m -87.19 115.08 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 116.75 15.97 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 4.2 mt -116.16 82.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.203 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 119.39 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -118.12 -174.68 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.428 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.556 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -67.36 121.05 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 39.24 28.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 471' ' ' ILE . 3.9 pt-20 -165.18 152.71 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -144.03 157.08 44.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.472 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.0 pt20 -143.5 138.22 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.157 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.73 120.28 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.421 HG22 ' N ' ' A' ' 478' ' ' CYS . 35.6 mm -80.13 138.31 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . 0.421 ' N ' HG22 ' A' ' 477' ' ' ILE . 67.9 m -101.88 148.33 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 479' ' ' MET . . . . . 0.442 ' HE2' ' CD1' ' A' ' 482' ' ' TYR . 2.7 ptt? -83.73 151.96 62.26 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.22 5.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.491 1.785 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.04 -41.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.442 ' CD1' ' HE2' ' A' ' 479' ' ' MET . 48.6 m-85 -117.92 170.74 8.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.445 ' OE1' ' N ' ' A' ' 484' ' ' GLY . 0.0 OUTLIER -145.25 -179.26 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 483' ' ' GLU . . . 109.94 -165.58 12.37 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.428 1.08 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER -77.2 -36.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.491 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -108.94 13.51 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.637 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 486' ' ' HIS . 0.0 OUTLIER 41.31 49.93 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 108.268 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 13.1 tt0 -118.63 -4.17 10.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -89.21 121.83 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.9 p30 -64.49 91.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.453 ' O ' ' O ' ' A' ' 490' ' ' ASN . 66.4 m 50.16 174.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -95.83 149.95 20.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 493' ' ' GLU . 12.4 pm0 -139.18 21.1 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 1.059 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 497' ' ' SER . 0.5 OUTLIER -129.39 30.35 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 108.339 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.15 -15.97 61.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 2.6 m -81.92 -67.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.417 ' O ' ' SG ' ' A' ' 494' ' ' CYS . 1.0 OUTLIER -114.56 97.78 47.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.6 Cg_endo -75.02 -3.99 14.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.403 1.739 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 39.61 62.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.343 1.027 . . . . 0.0 108.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.585 ' CD2' ' CG ' ' A' ' 501' ' ' HIS . 0.0 OUTLIER -89.01 162.61 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.585 ' CG ' ' CD2' ' A' ' 500' ' ' LEU . 28.2 m170 68.63 -59.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.5 m120 -69.61 -7.66 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.492 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 156.13 -162.92 31.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 515' ' ' GLU . 7.0 ttt180 -130.15 142.13 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 0.825 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.16 118.72 34.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.7 mp -92.93 131.54 37.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -89.0 91.31 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.407 ' NZ ' ' OE1' ' A' ' 513' ' ' GLN . 23.0 mtmt -89.75 164.48 14.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.0 pt -72.61 -23.92 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -85.87 -51.01 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.32 -152.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 53.7 p90 -124.08 143.81 50.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . 0.407 ' OE1' ' NZ ' ' A' ' 508' ' ' LYS . 0.0 OUTLIER -133.02 130.25 39.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 0.0 110.321 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 31.6 m -90.11 82.15 6.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 504' ' ' ARG . 3.1 pt-20 -53.69 171.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.6 p -97.33 135.67 21.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.267 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.492 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.5 Cg_endo -74.95 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 3.0 m -159.97 -44.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -37.73 -51.13 1.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 501' ' ' HIS . 18.2 m-85 -65.08 88.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 31.1 p -60.32 83.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . -146.39 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -125.65 85.63 2.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 0.715 . . . . 0.0 109.567 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.25 121.26 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.3 t -126.44 145.73 50.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 108.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -139.33 179.93 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.417 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -85.21 151.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.411 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 56.3 t0 -92.28 77.7 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.499 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.3 mp0 -55.85 -17.53 6.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -82.05 -16.92 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.9 t -103.88 -23.51 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -65.0 -79.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -169.53 29.12 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.18 79.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 0.823 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -111.01 104.48 56.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.484 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.2 Cg_endo -75.1 -27.03 10.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -73.85 47.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 108.281 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 423' ' ' CYS . 9.6 mm-40 27.24 -107.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -132.17 8.11 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.507 ' CB ' HG23 ' A' ' 471' ' ' ILE . . . -137.11 80.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.454 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . -179.82 -173.56 44.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -111.32 134.74 52.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -125.1 110.3 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.571 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.87 169.14 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.3 t30 -107.33 136.3 47.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.403 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.464 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.73 170.83 12.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.449 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.73 123.04 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.71 -44.81 3.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 432' ' ' THR . 9.0 t -133.34 172.9 12.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.494 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 10.6 p90 -105.27 152.52 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.6 tt0 -111.85 145.21 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 6.0 t -141.82 125.56 16.96 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.168 . . . . 0.0 108.396 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 35.8 mt-30 -84.37 153.89 23.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 6.1 m -83.52 148.13 27.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.538 ' CD1' ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.43 104.15 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.538 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 68.14 -93.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.21 75.0 0.42 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.836 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.8 t -103.35 -122.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.088 . . . . 0.0 110.358 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.854 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.93 161.5 32.37 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.33 5.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 29.3 mmt-85 -110.64 -8.63 14.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.8 t 98.43 65.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.686 ' HG2' ' CD1' ' A' ' 451' ' ' ILE . 0.8 OUTLIER -156.84 19.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.854 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 1.6 mp -123.55 145.9 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.521 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -97.22 122.18 39.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.515 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.0 OUTLIER -99.12 166.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.63 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 58.5 t-20 -102.18 98.94 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.526 ' HE2' ' N ' ' A' ' 473' ' ' GLU . 2.6 pm0 -73.82 -2.69 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 2.5 t -89.24 3.28 52.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.63 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 5.1 m -77.85 -31.06 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 14.6 m -106.29 -10.06 16.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.544 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.3 OUTLIER -138.03 58.04 14.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -75.01 -6.27 17.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.1 OUTLIER 73.49 22.79 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.253 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 463' ' ' ASN . 0.8 OUTLIER -46.62 127.47 9.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.586 ' CB ' ' O ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER 148.34 -20.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 3.2 m-20 152.14 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.504 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . -70.98 160.56 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.1 m -105.27 110.12 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 110.353 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.35 150.5 18.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 8.4 mt -160.99 86.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.45 132.81 43.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.46 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -121.38 -177.03 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.557 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.29 126.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.94 27.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.526 ' N ' ' HE2' ' A' ' 455' ' ' GLU . 0.0 OUTLIER -165.72 166.56 17.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 0.715 . . . . 0.0 110.318 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.408 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.0 OUTLIER -141.67 155.58 45.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 16.5 p -148.79 126.53 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 39.5 mm -81.25 110.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.38 166.64 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 5.0 mmt -94.77 155.29 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.88 3.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -177.52 -34.7 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -94.02 171.59 8.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.459 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -154.45 179.52 8.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.527 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 111.21 179.91 20.07 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.66 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -79.74 -25.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.25 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.66 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 8.0 m80 -107.98 -4.23 18.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.556 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 59.4 m 71.64 6.01 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -92.0 17.09 9.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.218 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.527 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.5 t -110.38 105.27 18.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.422 ' CB ' ' HA ' ' A' ' 509' ' ' ILE . 22.9 t-20 -66.23 142.56 57.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 4.2 m -39.43 154.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 148.64 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.34 26.73 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.1 t -84.96 0.87 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.271 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.46 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 -54.61 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.401 1.063 . . . . 0.0 109.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 105.68 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 -24.42 12.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.399 1.736 . . . . 0.0 110.955 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.2 m 48.42 75.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.346 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.552 ' O ' ' CD2' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -111.19 118.2 35.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.19 -45.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.99 -17.0 64.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.483 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 158.31 -160.31 30.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.94 140.59 52.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 0.774 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.98 118.2 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 108.265 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 5.1 mp -99.16 151.6 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.35 89.59 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.74 156.85 23.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -73.45 71.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.9 m-20 156.42 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -159.13 -173.92 4.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.1 p90 -114.55 144.32 43.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.395 1.059 . . . . 0.0 110.977 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.83 108.85 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.97 82.41 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.02 167.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.2 138.07 20.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.262 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 520' ' ' PHE . 18.3 Cg_endo -75.05 176.3 10.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 8.8 t -152.35 44.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -141.76 -47.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 517' ' ' PRO . 8.3 p90 -56.03 160.51 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 49.1 p -136.22 102.94 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -176.72 -128.86 1.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 133.66 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.567 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -45.87 142.28 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.4 p -65.43 130.7 44.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.355 1.034 . . . . 0.0 108.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -160.03 -179.51 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.573 1.17 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.89 153.58 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 417' ' ' SER . 10.0 t0 -90.59 82.46 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.499 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.2 mp0 -50.76 -20.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.4 t -81.85 -22.58 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 414' ' ' ASP . 6.1 t -86.97 -25.92 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.499 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -68.41 -81.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.19 25.52 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . 0.463 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.43 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.377 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -116.61 106.82 47.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.494 ' CG ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.04 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 3.4 m -46.85 -22.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.8 mt-10 66.81 -90.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.403 ' CE1' ' CG2' ' A' ' 471' ' ' ILE . 2.4 p80 -128.26 -39.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.594 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.462 ' HB2' ' CG2' ' A' ' 471' ' ' ILE . . . -109.69 108.74 19.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.16 153.65 6.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -85.89 136.11 33.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -128.88 121.86 29.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.505 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -123.57 168.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -105.6 129.76 53.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.406 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -120.04 171.92 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.133 . . . . 0.0 110.494 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.42 122.17 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.94 -44.46 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.405 ' O ' ' OG1' ' A' ' 432' ' ' THR . 12.6 t -132.3 174.59 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.406 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 22.4 p90 -108.0 147.8 30.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.0 tt0 -107.42 145.62 32.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.479 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 27.0 t -142.87 127.75 18.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 108.197 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.448 ' N ' ' O ' ' A' ' 428' ' ' LYS . 25.1 mt-30 -89.39 150.0 22.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.238 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.7 m -84.73 171.16 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.609 HD11 ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -154.08 128.56 9.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.415 ' NE2' HD22 ' A' ' 441' ' ' LEU . 0.4 OUTLIER 67.6 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 110.26 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -148.58 77.67 0.24 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.395 1.06 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.609 ' CD1' HD11 ' A' ' 441' ' ' LEU . 2.4 m-85 -104.11 161.77 13.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.876 ' N ' ' O ' ' A' ' 451' ' ' ILE . 1.3 t -102.56 -120.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.75 161.95 34.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . 0.469 ' CD ' HD12 ' A' ' 451' ' ' ILE . 18.1 Cg_endo -75.07 -32.3 5.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -112.98 -7.33 13.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.629 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 99.05 69.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.581 ' OE1' ' N ' ' A' ' 448' ' ' ARG . 1.2 pm0 -162.48 23.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.876 ' O ' ' N ' ' A' ' 445' ' ' THR . 2.2 mp -128.79 146.52 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.576 ' N ' HG23 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -95.66 128.79 42.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.524 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.72 158.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 457' ' ' VAL . 41.6 t-20 -79.16 106.0 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.626 ' HE2' ' N ' ' A' ' 455' ' ' GLU . 0.4 OUTLIER -79.3 -19.55 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.5 OUTLIER -97.82 23.22 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 108.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.527 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -93.98 -57.17 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.527 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.2 OUTLIER -94.17 4.13 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.668 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.87 50.76 2.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.668 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.0 1.51 7.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.069 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.54 21.92 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 108.344 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.4 tt0 87.83 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -101.61 -27.22 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -92.77 62.26 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.516 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . 170.99 137.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.444 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 32.9 m -76.92 154.56 33.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.183 . . . . 0.0 110.443 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.95 128.21 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 31.4 mt -126.08 102.81 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.11 121.2 22.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.6 -172.89 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.83 117.05 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.63 23.34 0.33 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.5 154.81 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.766 . . . . 0.0 110.322 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.663 ' CE2' ' O ' ' A' ' 459' ' ' ASN . 0.7 OUTLIER -141.14 162.0 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 6.1 pt20 -140.14 133.16 29.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.444 ' HA ' ' O ' ' A' ' 466' ' ' THR . 18.3 p -113.14 136.9 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 41.7 mm -93.53 119.43 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 7.4 m -101.73 164.12 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.287 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.7 mtp -84.69 152.83 60.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.53 5.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -158.72 -40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 40.5 m-85 -116.87 171.41 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 111.041 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.538 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -152.37 -176.11 5.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 110.6 -176.45 18.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -22.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.429 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.0 OUTLIER -107.04 7.33 29.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.561 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 58.2 m 45.74 31.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.38 10.29 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.365 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.538 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.9 t -89.35 109.93 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.517 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.4 OUTLIER -64.22 131.6 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -40.36 159.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.469 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.07 151.75 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.558 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.1 mp0 -141.01 13.2 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.7 t -84.89 -25.25 28.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.99 -14.84 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -56.61 2.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.07 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.597 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -119.62 83.75 28.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.422 ' O ' ' HG ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.561 1.821 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.9 OUTLIER -64.18 94.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.276 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.448 ' CD1' ' C ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -126.77 154.13 44.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 517' ' ' PRO . 2.9 m-70 69.53 -56.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.646 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 22.2 m120 -84.05 -20.78 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.402 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -168.05 -167.81 29.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.17 139.6 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 0.705 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.53 109.51 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 6.2 tp -103.18 131.68 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.352 1.033 . . . . 0.0 109.288 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -102.08 88.29 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -86.29 174.51 9.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.464 ' CG1' ' ND2' ' A' ' 490' ' ' ASN . 1.1 mp -91.89 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 1.0 OUTLIER 159.26 -44.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.33 -177.52 5.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.597 ' CD2' ' OG ' ' A' ' 497' ' ' SER . 16.1 p90 -107.16 145.31 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -123.5 134.11 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.227 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 56.0 m -86.1 93.6 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.233 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.72 -161.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.305 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.52 146.64 31.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.503 ' CB ' ' O ' ' A' ' 501' ' ' HIS . 18.7 Cg_endo -74.9 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -135.25 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 518' ' ' THR . . . -35.79 -32.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.409 1.068 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 518' ' ' THR . 83.5 m-85 -86.73 42.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 0.723 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 518' ' ' THR . 0.8 OUTLIER -177.15 -43.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 110.47 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 523' ' ' HIS . . . 66.12 59.75 7.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 522' ' ' GLY . 0.6 OUTLIER 167.27 51.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 0.706 . . . . 0.0 109.62 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 3.7 mp 58.69 168.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 69.88 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.45 -178.78 4.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -89.78 155.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 417' ' ' SER . 18.5 t0 -85.79 78.58 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.514 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 1.6 mp0 -53.97 -17.28 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.7 t -85.08 -18.9 32.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.4 t -87.35 -28.19 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.514 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -64.81 -72.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -174.2 32.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -126.74 75.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -105.91 105.86 54.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.482 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -74.99 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.508 1.793 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.432 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 5.1 m -48.43 -19.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.283 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 72.91 -57.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.456 ' CD2' ' H ' ' A' ' 426' ' ' ALA . 0.3 OUTLIER -162.54 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.491 ' O ' ' CZ ' ' A' ' 444' ' ' TYR . . . -102.35 108.63 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.41 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 148.64 165.39 12.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.424 1.078 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -93.44 138.66 31.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -127.43 121.27 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.468 ' CD1' ' HD2' ' A' ' 428' ' ' LYS . 0.0 OUTLIER -123.12 169.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 431' ' ' ASN . 5.7 t30 -102.29 126.66 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.481 ' HG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -115.75 170.59 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.43 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.94 121.03 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.08 -45.46 3.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.455 ' HA ' ' OE1' ' A' ' 415' ' ' GLU . 8.7 m -132.47 171.94 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.935 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.461 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.2 p90 -98.13 155.77 16.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.481 ' N ' ' HG1' ' A' ' 432' ' ' THR . 2.8 tt0 -119.91 146.24 45.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.469 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 1.4 t -142.08 130.42 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 108.315 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 428' ' ' LYS . 30.4 mt-30 -86.88 158.92 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.5 172.06 12.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.664 ' CD1' ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -158.16 119.76 3.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.416 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 70.12 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.06 73.29 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.664 ' CD1' ' CD1' ' A' ' 441' ' ' LEU . 1.7 m-85 -104.38 160.84 14.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.6 t -102.89 -125.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.681 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.11 163.03 38.4 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.416 1.072 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -32.93 4.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.508 ' C ' ' OE2' ' A' ' 450' ' ' GLU . 18.7 mmt-85 -119.66 9.18 11.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.631 ' N ' ' HE2' ' A' ' 450' ' ' GLU . 0.1 OUTLIER 85.69 65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.631 ' HE2' ' N ' ' A' ' 449' ' ' CYS . 14.3 pm0 -153.77 19.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.566 1.166 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' A' ' 445' ' ' THR . 36.5 mm -127.54 147.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.601 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 5.4 t0 -101.17 122.05 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.504 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.4 p -98.7 166.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.504 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 45.0 t-20 -101.85 110.19 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.513 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.2 pm0 -84.74 -19.98 31.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.7 p -92.82 14.63 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 108.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.514 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.7 OUTLIER -81.64 -58.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.514 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 1.1 t -107.89 3.73 24.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.591 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -138.19 55.52 8.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.96 -3.54 14.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.564 1.823 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 78.79 0.41 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 108.268 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.539 ' HG3' ' C ' ' A' ' 461' ' ' CYS . 2.8 pp0? 34.05 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.539 ' ND2' HE22 ' A' ' 462' ' ' GLN . 0.3 OUTLIER 72.09 30.15 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 463' ' ' ASN . 46.6 t0 69.28 17.48 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.586 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . -81.0 121.67 26.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.1 m -69.85 108.87 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 136.56 57.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.239 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 3.5 mt -135.18 84.56 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.402 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 118.65 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.234 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -120.9 -173.38 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.553 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -63.59 115.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.354 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.76 28.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 471' ' ' ILE . 3.6 pt-20 -164.67 153.19 12.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.413 0.714 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -145.4 160.76 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.508 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 2.8 pp0? -143.53 151.65 40.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.482 ' HB2' ' CB ' ' A' ' 465' ' ' ALA . 12.8 p -124.83 116.87 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -75.73 110.34 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.8 178.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.233 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 13.0 mtp -84.02 151.21 60.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 52.73 3.13 Favored 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -138.88 -40.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.42 1.075 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -107.97 169.44 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -152.42 178.12 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 110.199 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.19 -174.55 15.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.591 1.182 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -38.38 77.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.561 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.1 OUTLIER -109.09 13.75 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.633 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 463' ' ' ASN . 40.8 t 43.51 27.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 486' ' ' HIS . 28.4 tt0 -98.48 0.22 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.385 1.053 . . . . 0.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.7 m -101.68 125.28 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 491' ' ' THR . 28.2 t-20 -68.12 144.5 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.26 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.98 171.35 9.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.9 pm0 -148.35 18.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 28.78 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.46 62.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.08 10.73 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.32 103.46 8.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.92 -34.79 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 60.8 9.92 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 108.301 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.465 ' O ' ' O ' ' A' ' 499' ' ' CYS . 5.3 tp 46.65 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -13.05 60.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -70.76 -11.1 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -155.37 135.81 4.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.58 114.09 27.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.28 100.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 108.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.96 132.04 41.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.52 86.24 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.77 137.42 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.425 ' O ' ' ND2' ' A' ' 510' ' ' ASN . 1.4 mt -70.55 66.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.5 OUTLIER 163.38 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.17 -170.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.248 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.99 145.2 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.59 108.85 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 6.7 t -79.02 83.82 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 165.11 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 525' ' ' CYS . 1.7 p -108.66 117.78 53.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.28 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -92.35 -23.96 25.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.608 1.192 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.92 52.72 3.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.415 0.715 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 1.9 t -171.48 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 523' ' ' HIS . . . -108.22 -41.93 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 523' ' ' HIS . 0.1 OUTLIER 76.82 111.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.596 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.39 84.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 516' ' ' CYS . 0.6 OUTLIER -49.78 104.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . 0.433 ' CG ' ' O ' ' A' ' 432' ' ' THR . 10.7 t70 -139.47 149.77 44.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.383 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 2.7 p -124.89 160.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 417' ' ' SER . 19.7 t0 -83.5 77.93 9.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.505 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 1.5 mp0 -63.66 -7.79 8.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -17.16 30.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.242 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 0.2 OUTLIER -104.88 -19.32 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 110.013 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.505 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 0.7 OUTLIER -61.04 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.316 1.01 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -162.17 25.23 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.617 1.198 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.31 92.34 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.792 . . . . 0.0 109.319 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.35 104.09 55.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.545 ' CG ' ' CD ' ' A' ' 450' ' ' GLU . 18.4 Cg_endo -75.03 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 4.8 m -42.31 -24.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.52 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 69.67 -93.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.211 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.51 ' O ' ' CB ' ' A' ' 426' ' ' ALA . 0.1 OUTLIER -140.38 50.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 425' ' ' HIS . . . 161.92 98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.6 175.83 24.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.459 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.9 OUTLIER -103.54 136.48 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -112.85 109.77 19.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.377 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.577 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -114.6 169.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.7 t30 -108.7 137.76 46.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.46 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.1 OUTLIER -126.89 166.17 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.7 mt -73.17 123.21 23.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.03 -46.0 3.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 432' ' ' THR . 9.5 m -133.2 174.2 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 0.699 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.473 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -100.95 155.19 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -124.27 145.73 49.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.204 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.52 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -144.22 132.5 21.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -78.59 149.21 33.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 141.62 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.355 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -103.44 119.78 39.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.461 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 5.1 mm-40 61.3 -101.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.62 72.44 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.574 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -100.3 161.0 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.2 t -102.09 -123.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.621 1.201 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.874 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.69 158.14 20.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.581 1.175 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.43 11.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 28.0 mmm180 -114.61 -4.55 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.572 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.6 OUTLIER 90.34 58.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 108.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.545 ' CD ' ' CG ' ' A' ' 422' ' ' PRO . 0.9 OUTLIER -148.99 14.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.874 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 1.4 mp -117.48 145.36 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.79 128.06 44.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.492 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.61 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.574 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 60.1 t-20 -100.66 91.19 4.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.606 ' HE2' ' N ' ' A' ' 473' ' ' GLU . 13.1 mp0 -59.83 -9.54 3.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -83.26 6.98 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.574 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 16.5 m -100.18 -25.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.456 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 0.4 OUTLIER -117.05 4.01 12.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.913 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.624 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -155.42 57.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -75.04 -0.35 9.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.8 OUTLIER 72.97 20.78 3.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.13 . . . . 0.0 108.301 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 84.53 -149.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.21 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -112.02 32.19 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.09 36.67 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -169.33 135.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.442 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -77.75 109.03 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 142.01 56.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.26 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 64.0 mt -146.94 101.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 4.2 t0 -64.87 120.86 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.2 OUTLIER -112.16 -168.68 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.01 112.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.97 22.71 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.606 ' N ' ' HE2' ' A' ' 455' ' ' GLU . 3.9 pt-20 -168.16 154.28 7.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 0.735 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.624 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 25.4 p90 -116.95 162.13 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.12 132.37 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.442 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.8 OUTLIER -119.68 132.3 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 108.268 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 15.6 mm -99.17 110.68 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 -174.09 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 31.3 mtp -84.52 151.62 59.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -143.97 -42.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -102.07 170.93 7.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.3 OUTLIER -155.08 -176.16 5.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . 0.48 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.27 -175.97 22.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.411 1.069 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.575 HG11 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -78.08 -19.03 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.754 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.575 ' CD2' HG11 ' A' ' 485' ' ' VAL . 13.8 m-70 -105.74 2.78 28.24 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.501 1.125 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.0 m 49.71 30.21 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 108.351 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.422 ' O ' HG21 ' A' ' 509' ' ' ILE . 0.0 OUTLIER -126.96 10.59 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 9.9 t -89.33 112.86 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.43 ' O ' ' O ' ' A' ' 491' ' ' THR . 6.3 p30 -67.75 91.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.367 1.042 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 57.23 154.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.24 134.07 37.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 25.64 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 17.83 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.234 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.82 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -62.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.4 p -136.38 98.38 11.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -74.91 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 500' ' ' LEU . 22.5 m 38.49 59.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 108.319 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 2.6 pt? -57.02 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 97.7 m-70 67.92 -107.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -105.11 -21.19 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . -68.46 154.48 53.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.32 137.87 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.783 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 130.85 40.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.1 tp -108.07 131.46 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.428 ' CG ' ' CG1' ' A' ' 489' ' ' VAL . 32.6 t0 -95.0 96.37 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -92.53 145.43 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.422 HG21 ' O ' ' A' ' 488' ' ' GLU . 0.5 OUTLIER -74.63 57.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.64 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -163.88 -163.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.223 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -124.31 145.33 49.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.71 123.09 39.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 96.65 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -89.15 91.39 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 128.91 30.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 5.9 t -176.26 50.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.103 . . . . 0.0 110.44 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -152.12 -56.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.582 1.176 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -45.31 -58.88 2.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 523' ' ' HIS . 76.0 p -102.85 60.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 38.47 -96.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 521' ' ' THR . 0.3 OUTLIER -141.29 67.48 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.668 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 2.4 tp -133.34 93.99 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 44.7 t -148.72 143.32 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 108.286 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . 0.424 ' CG ' ' O ' ' A' ' 432' ' ' THR . 9.1 t0 -160.26 124.97 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.453 ' CG1' ' OE1' ' A' ' 415' ' ' GLU . 3.1 p -104.32 157.76 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.444 ' HD2' ' N ' ' A' ' 417' ' ' SER . 60.5 t0 -90.71 76.43 6.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.471 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.3 mp0 -58.77 -15.11 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.1 OUTLIER -81.19 -16.96 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.324 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.444 ' N ' ' HD2' ' A' ' 414' ' ' ASP . 4.8 t -108.36 -19.1 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.982 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 4.2 mt -69.85 -81.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.99 24.53 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.422 1.076 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . 0.406 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -124.83 77.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -115.68 105.52 51.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.486 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.97 -34.35 3.92 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 426' ' ' ALA . 83.4 m -60.47 -9.73 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 423' ' ' CYS . 8.2 pt-20 49.0 40.67 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.484 ' HB2' ' O ' ' A' ' 424' ' ' GLU . 13.2 m-70 77.65 -7.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 423' ' ' CYS . . . -109.69 75.21 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.13 -169.69 32.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -105.42 120.2 40.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.47 114.29 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.411 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.567 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -115.37 169.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.5 t30 -108.57 138.61 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -126.65 164.21 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.86 122.86 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.42 -44.65 3.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 432' ' ' THR . 8.2 m -133.1 169.36 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.409 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 45.6 p90 -100.33 160.14 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -128.98 141.83 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.4 t -142.27 126.17 17.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' A' ' 428' ' ' LYS . 6.9 mt-30 -86.61 158.43 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.4 p -87.52 172.53 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.636 HD13 ' CD1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.72 153.76 42.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.475 ' NE2' HD21 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 47.21 -98.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -139.13 68.68 0.49 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.636 ' CD1' HD13 ' A' ' 441' ' ' LEU . 3.0 m-85 -104.11 160.03 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.923 ' N ' ' O ' ' A' ' 451' ' ' ILE . 0.9 OUTLIER -104.06 -114.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.854 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.73 158.59 22.23 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . 0.438 ' HG2' ' CD ' ' A' ' 448' ' ' ARG . 18.2 Cg_endo -75.0 -27.75 9.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.2 OUTLIER -112.07 -5.78 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.224 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 91.88 60.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.362 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -156.9 21.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.923 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.1 mp -127.73 144.14 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.585 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.6 t70 -89.52 137.29 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.545 ' CB ' HG23 ' A' ' 445' ' ' THR . 0.2 OUTLIER -101.11 162.05 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.589 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 63.4 t-20 -101.53 89.64 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.587 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 12.6 mp0 -60.85 -11.72 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -79.04 2.19 21.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.396 1.06 . . . . 0.0 108.223 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.589 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 14.4 m -96.91 -25.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.22 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.465 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 58.1 m -116.92 0.82 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.627 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -156.31 58.7 1.77 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.95 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 1.4 m 71.1 22.22 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.348 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 74.37 -169.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -92.31 39.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 27.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -164.48 127.84 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.448 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.5 m -69.69 109.2 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 131.98 45.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 108.386 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 28.2 mt -137.12 95.81 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 0.6 OUTLIER -64.39 125.86 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.195 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.7 -168.04 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.618 1.198 . . . . 0.0 110.29 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.542 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -72.98 118.83 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.0 24.35 0.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -169.88 153.93 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.2 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 18.9 p90 -120.68 162.5 19.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -142.25 133.42 26.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.8 OUTLIER -121.7 126.7 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 12.8 mm -83.19 148.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.373 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 482' ' ' TYR . 40.9 t -102.98 145.26 30.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.85 152.57 53.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.39 5.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.39 -41.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.405 ' O ' ' SG ' ' A' ' 478' ' ' CYS . 20.0 m-85 -120.31 171.36 8.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 0.806 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.44 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.2 OUTLIER -149.1 -178.25 6.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.08 -163.22 12.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.553 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.3 -35.66 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.553 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.54 6.31 27.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 38.9 t 45.11 39.01 3.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 0.0 OUTLIER -112.18 -0.42 15.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.19 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.449 ' HA ' ' CG2' ' A' ' 509' ' ' ILE . 0.8 OUTLIER -88.9 122.45 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.545 ' O ' ' CG2' ' A' ' 491' ' ' THR . 5.9 p30 -77.56 92.55 4.07 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 490' ' ' ASN . 12.6 t 51.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.21 161.95 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.6 pm0 -144.83 26.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.3 25.74 10.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.31 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -67.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.069 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.95 90.32 50.56 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.28 21.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.0 OUTLIER 41.77 56.71 3.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 501' ' ' HIS . 6.4 tp -81.16 163.51 23.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 3.3 m170 69.27 -58.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m-20 -81.47 4.58 20.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . 160.31 -177.76 36.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -129.96 139.56 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.57 125.94 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.4 mp -92.54 132.1 37.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -80.63 96.74 6.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -106.24 147.15 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.6 pt -76.25 60.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.63 -159.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 6.3 p90 -127.05 132.68 50.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -110.02 114.9 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 74.4 m -81.95 95.45 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 108.282 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 504' ' ' ARG . 2.8 pt-20 -71.76 -179.42 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.61 141.48 23.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.246 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 520' ' ' PHE . 18.5 Cg_endo -75.01 105.36 2.07 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 9.8 t -127.35 7.18 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -116.3 0.25 20.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 520' ' ' PHE . 7.6 p90 -87.24 15.67 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 35.1 p 48.2 -173.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 53.25 80.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 64.67 115.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.574 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 6.4 mp -86.23 167.58 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.299 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.08 -58.81 2.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -155.72 179.25 9.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.401 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -84.99 149.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 26.7 t0 -91.93 77.45 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.484 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.6 mp0 -55.35 -18.69 7.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.232 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -81.27 -19.07 43.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.1 t -99.18 -20.03 16.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.484 ' CD1' ' HA ' ' A' ' 415' ' ' GLU . 2.6 mt -73.6 -79.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -165.76 26.88 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.29 78.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 0.75 . . . . 0.0 109.331 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -120.88 106.24 39.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.96 -28.39 9.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 50.6 m -50.17 -19.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 423' ' ' CYS . 3.5 mm-40 72.24 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . 0.461 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 1.0 OUTLIER -139.75 -44.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.409 ' HB2' ' OH ' ' A' ' 444' ' ' TYR . . . -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.229 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.08 163.63 18.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.3 OUTLIER -99.95 128.59 46.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.436 ' SG ' ' O ' ' A' ' 429' ' ' CYS . 0.3 OUTLIER -112.37 119.71 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.549 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -121.71 169.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 432' ' ' THR . 18.1 t30 -107.55 135.62 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.83 165.15 19.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -72.61 122.74 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.25 -44.29 3.15 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.493 1.12 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 432' ' ' THR . 23.1 t -132.84 169.81 16.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.633 0.843 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . 0.415 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 28.8 p90 -104.74 144.55 31.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.478 ' N ' ' HG1' ' A' ' 432' ' ' THR . 5.2 tt0 -107.04 144.11 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.449 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 16.6 t -143.65 124.83 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.24 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.541 ' N ' ' O ' ' A' ' 428' ' ' LYS . 23.9 mt-30 -82.3 155.87 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.3 p -86.57 156.99 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.35 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -113.93 136.42 52.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.445 ' HA ' ' NE2' ' A' ' 442' ' ' GLN . 8.0 mm-40 44.16 -101.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.248 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.46 70.76 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.585 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.5 m-85 -100.27 160.81 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.834 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.9 t -102.62 -124.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.871 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.23 157.39 11.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -25.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.4 mmt-85 -110.33 -5.81 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 0.0 110.352 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.553 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 88.08 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.556 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -144.93 6.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.871 ' HB ' ' CA ' ' A' ' 446' ' ' GLY . 0.7 OUTLIER -107.12 147.01 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.585 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 25.7 t0 -100.8 125.7 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.519 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.6 p -97.98 167.98 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.571 ' O ' ' CG2' ' A' ' 457' ' ' VAL . 40.9 t-20 -101.05 90.5 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.542 ' HE2' ' N ' ' A' ' 473' ' ' GLU . 2.0 pm0 -64.43 -5.32 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . 0.479 ' HB2' ' CB ' ' A' ' 469' ' ' ASP . 20.6 t -88.62 11.36 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.571 ' CG2' ' O ' ' A' ' 454' ' ' ASN . 13.0 m -109.81 -22.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 6.6 p -115.56 -7.46 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.572 ' HB3' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -140.3 59.28 12.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.522 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.04 -2.73 12.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 1.8 t 75.02 20.11 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.8 tt0 84.34 -141.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.453 ' ND2' ' OE1' ' A' ' 462' ' ' GLN . 8.8 p30 -116.9 -1.62 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 73.7 m-20 -116.6 54.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.087 . . . . 0.0 109.26 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.459 ' CB ' ' SG ' ' A' ' 461' ' ' CYS . . . 176.25 120.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 466' ' ' THR . . . . . 0.484 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 0.9 OUTLIER -66.89 106.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . 0.435 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 49.8 t -63.64 163.04 12.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.476 ' O ' ' NE2' ' A' ' 470' ' ' GLN . 1.4 mt -170.09 90.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.177 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . 0.479 ' CB ' ' HB2' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -75.71 151.54 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -152.72 -162.61 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.355 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -53.45 118.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 25.1 41.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 471' ' ' ILE . 4.3 pt-20 -169.01 155.02 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 0.709 . . . . 0.0 110.355 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.572 ' CZ ' ' HB3' ' A' ' 459' ' ' ASN . 5.9 p90 -135.72 139.75 43.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 468' ' ' LEU . 8.8 pt20 -121.93 144.01 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.379 1.05 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 466' ' ' THR . 13.7 p -127.06 137.55 53.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 10.8 mm -103.21 115.55 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -84.64 152.35 59.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 55.1 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.762 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.12 -42.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.574 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 58.0 m-85 -109.47 170.48 8.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.402 ' O ' HG23 ' A' ' 489' ' ' VAL . 2.4 tt0 -154.25 -179.95 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.03 -177.8 16.43 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.496 HG13 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -68.71 -34.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.496 ' CD2' HG13 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -108.05 -1.56 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.657 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 57.5 m 60.39 28.29 17.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.102 . . . . 0.0 108.222 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -103.86 3.33 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 483' ' ' GLU . 2.0 m -107.88 128.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.574 ' HA ' ' CD2' ' A' ' 482' ' ' TYR . 24.6 t-20 -67.71 144.57 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.24 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -51.7 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -76.34 174.69 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.07 . . . . 0.0 109.194 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.35 43.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -140.91 46.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.58 -14.85 60.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.26 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 0.0 109.871 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 497' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 53.4 m -101.26 111.35 63.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.949 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . 0.43 ' O ' ' O ' ' A' ' 499' ' ' CYS . 18.4 Cg_endo -75.02 -25.83 11.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 498' ' ' PRO . 52.5 t 46.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -145.37 27.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.96 -46.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.619 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -99.69 -19.66 16.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.429 ' HA2' ' HD3' ' A' ' 517' ' ' PRO . . . -176.91 -179.5 47.34 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.411 1.069 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -113.44 118.74 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 0.817 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 497' ' ' SER . 1.2 m -59.72 106.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . 0.423 ' CD2' ' HG3' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -98.44 131.99 44.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -93.87 132.66 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -69.8 64.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 508' ' ' LYS . 0.2 OUTLIER 167.85 -44.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.23 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -151.64 -172.13 4.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.1 OUTLIER -117.54 122.05 42.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -105.96 161.29 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.38 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.38 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.423 ' HG3' ' CD2' ' A' ' 506' ' ' LEU . 4.5 mm-40 -61.27 -139.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 137.05 21.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.429 ' HD3' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo -75.05 -173.83 1.72 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 518' ' ' THR . . . . . 0.423 ' O ' ' CG2' ' A' ' 518' ' ' THR . 12.8 t -160.84 51.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -151.35 -48.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.54 ' CE2' ' HB ' ' A' ' 521' ' ' THR . 53.8 p90 -38.04 -40.8 0.51 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.763 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.54 ' HB ' ' CE2' ' A' ' 520' ' ' PHE . 9.9 t -92.41 -39.45 11.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.46 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 129.05 64.35 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.472 1.108 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.05 85.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.668 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.8 82.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 517' ' ' PRO . 29.0 t -175.95 54.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 412' ' ' ASP . . . . . 0.471 ' OD1' ' N ' ' A' ' 434' ' ' GLY . 4.8 t70 -136.0 163.79 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 413' ' ' VAL . . . . . 0.484 HG13 ' CD1' ' A' ' 418' ' ' LEU . 2.4 p -112.25 152.78 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 414' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.9 t0 -89.53 76.31 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.396 1.06 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 415' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 418' ' ' LEU . 2.1 mp0 -55.98 -19.24 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 416' ' ' CYS . . . . . 0.41 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.0 OUTLIER -79.0 -19.77 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.371 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 44.5 t -99.05 -25.67 14.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 418' ' ' LEU . . . . . 0.484 ' CD1' HG13 ' A' ' 413' ' ' VAL . 1.8 mt -67.34 -78.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.95 31.69 0.24 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 420' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -124.73 75.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 0.805 . . . . 0.0 109.241 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 421' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 4.1 t30 -116.52 107.33 47.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 422' ' ' PRO . . . . . 0.609 ' O ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.97 -36.48 2.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 423' ' ' CYS . . . . . 0.638 ' O ' ' C ' ' A' ' 424' ' ' GLU . 85.2 m -65.41 56.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 424' ' ' GLU . . . . . 0.638 ' C ' ' O ' ' A' ' 423' ' ' CYS . 25.0 mt-10 16.36 -96.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -135.68 11.36 3.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 426' ' ' ALA . . . . . 0.501 ' CB ' ' OH ' ' A' ' 444' ' ' TYR . . . -139.44 105.02 5.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 427' ' ' GLY . . . . . 0.481 ' HA2' ' CD2' ' A' ' 441' ' ' LEU . . . 155.64 -175.97 33.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 428' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.9 121.95 46.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 429' ' ' CYS . . . . . 0.4 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -109.46 109.5 20.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 430' ' ' ILE . . . . . 0.598 ' CD1' ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -110.67 169.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 431' ' ' ASN . . . . . 0.444 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.8 t30 -108.83 139.88 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 432' ' ' THR . . . . . 0.436 HG23 ' CB ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -127.72 170.49 12.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -76.28 122.38 24.31 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 434' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 412' ' ' ASP . . . 83.2 -44.87 3.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.2 m -132.49 172.51 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -103.6 155.4 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 430' ' ' ILE . 5.9 tt0 -122.02 146.75 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 438' ' ' CYS . . . . . 0.463 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 47.9 t -142.01 124.55 15.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 439' ' ' GLN . . . . . 0.49 ' N ' ' O ' ' A' ' 428' ' ' LYS . 10.5 mt-30 -81.94 159.94 23.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 440' ' ' CYS . . . . . 0.455 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.2 m -82.0 157.77 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.35 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 441' ' ' LEU . . . . . 0.481 ' CD2' ' HA2' ' A' ' 427' ' ' GLY . 0.3 OUTLIER -111.63 96.83 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 442' ' ' GLN . . . . . 0.475 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 69.21 -92.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.227 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -123.71 71.21 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 444' ' ' TYR . . . . . 0.501 ' OH ' ' CB ' ' A' ' 426' ' ' ALA . 1.7 m-85 -103.87 160.97 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 0.828 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 445' ' ' THR . . . . . 0.884 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.3 t -102.97 -121.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 446' ' ' GLY . . . . . 0.86 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.65 156.89 17.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.27 10.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 448' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 14.0 mmt180 -110.63 -9.72 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 449' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 95.48 62.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 450' ' ' GLU . . . . . 0.505 ' C ' ' CD1' ' A' ' 451' ' ' ILE . 0.0 OUTLIER -157.37 22.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 451' ' ' ILE . . . . . 0.884 ' O ' ' N ' ' A' ' 445' ' ' THR . 1.6 mp -124.01 145.33 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 452' ' ' ASP . . . . . 0.528 ' N ' HG22 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -96.42 123.84 40.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 453' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.4 OUTLIER -98.87 160.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 454' ' ' ASN . . . . . 0.597 ' HB3' ' CG1' ' A' ' 457' ' ' VAL . 57.9 t-20 -97.45 89.65 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 455' ' ' GLU . . . . . 0.538 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 0.8 OUTLIER -59.47 -14.84 14.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -2.17 28.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 457' ' ' VAL . . . . . 0.597 ' CG1' ' HB3' ' A' ' 454' ' ' ASN . 31.2 m -75.62 -26.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 458' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 67.1 m -119.66 -0.54 10.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 459' ' ' ASN . . . . . 0.607 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -150.95 58.33 2.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 460' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.841 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 461' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 7.3 m 70.98 20.21 5.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 462' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 82.85 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 463' ' ' ASN . . . . . 0.458 HD21 ' N ' ' A' ' 464' ' ' ASP . 0.1 OUTLIER -102.75 -27.0 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 464' ' ' ASP . . . . . 0.458 ' N ' HD21 ' A' ' 463' ' ' ASN . 0.2 OUTLIER -67.44 -9.99 47.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 465' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 461' ' ' CYS . . . -123.18 124.49 43.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 1.3 m -73.57 109.71 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 148.88 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 468' ' ' LEU . . . . . 0.417 ' CB ' ' HG2' ' A' ' 475' ' ' GLN . 7.0 mt -154.73 79.53 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.01 145.61 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 470' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -150.94 -165.44 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 471' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -52.52 115.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 472' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 26.39 40.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 473' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -170.54 154.41 4.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 474' ' ' PHE . . . . . 0.607 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -138.39 159.59 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 475' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 9.5 pt20 -136.51 151.84 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 476' ' ' CYS . . . . . 0.431 ' HB2' ' CB ' ' A' ' 465' ' ' ALA . 1.7 p -130.18 113.36 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 477' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 5.7 mt -67.76 162.55 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 478' ' ' CYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 1.9 t -120.72 151.35 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.1 mmt -99.63 150.27 36.65 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.66 5.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.54 -41.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.152 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 482' ' ' TYR . . . . . 0.46 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 40.1 m-85 -129.2 170.38 13.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 483' ' ' GLU . . . . . 0.405 ' O ' HG21 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -145.34 -179.85 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 179.96 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 121.71 -174.87 16.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 485' ' ' VAL . . . . . 0.689 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -70.0 -32.02 49.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 486' ' ' HIS . . . . . 0.689 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 14.4 m170 -108.23 -9.18 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.71 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 84.4 m 65.24 36.58 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' OE1' ' A' ' 462' ' ' GLN . 5.7 tp10 -112.64 -3.83 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 489' ' ' VAL . . . . . 0.405 HG21 ' O ' ' A' ' 483' ' ' GLU . 1.8 m -96.62 125.0 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 490' ' ' ASN . . . . . 0.651 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.0 OUTLIER -62.67 147.13 50.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 491' ' ' THR . . . . . 0.472 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.55 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 492' ' ' ASP . . . . . 0.438 ' HD2' ' N ' ' A' ' 495' ' ' ALA . 25.4 t0 -69.09 162.34 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.393 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 493' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -133.13 22.31 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.19 45.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 108.278 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 495' ' ' ALA . . . . . 0.438 ' N ' ' HD2' ' A' ' 492' ' ' ASP . . . -68.73 -17.64 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -55.47 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.41 99.35 40.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.31 11.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 499' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 503' ' ' GLY . 1.0 OUTLIER 70.06 30.77 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.377 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 500' ' ' LEU . . . . . 0.425 ' O ' ' HB3' ' A' ' 501' ' ' HIS . 0.2 OUTLIER -50.67 125.09 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 501' ' ' HIS . . . . . 0.558 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 81.38 -45.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.636 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 1.9 m-80 -69.17 -20.18 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 503' ' ' GLY . . . . . 0.479 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 151.13 -151.84 23.75 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 515' ' ' GLU . 5.7 ttp180 -127.2 125.36 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 118.2 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 4.9 tp -98.97 141.42 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 507' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.9 OUTLIER -103.23 89.28 3.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -86.3 165.48 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 509' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -87.96 69.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 510' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 2.6 m-20 158.48 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 512' ' ' PHE . . . . . 0.471 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 1.4 p90 -116.56 144.05 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.1 108.28 13.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 34.4 t -69.48 80.27 0.4 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 515' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 504' ' ' ARG . 59.7 mm-40 -44.99 168.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.18 133.2 21.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 517' ' ' PRO . . . . . 0.489 ' HG2' ' CD1' ' A' ' 520' ' ' PHE . 18.5 Cg_endo -74.89 176.22 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 9.0 t -150.54 43.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -143.02 -50.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 520' ' ' PHE . 12.5 p90 -49.08 121.41 4.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 0.802 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 521' ' ' THR . . . . . 0.402 ' CB ' ' O ' ' A' ' 520' ' ' PHE . 0.5 OUTLIER 75.94 166.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.459 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -46.92 -94.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.482 1.113 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -62.35 -173.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 524' ' ' LEU . . . . . 0.525 ' CD1' ' N ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -114.1 -177.13 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 1.2 p -81.98 147.58 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 108.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 432' ' ' THR . 9.4 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.476 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.1 p -112.43 160.48 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.453 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 15.1 t0 -93.12 77.71 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.9 mp0 -57.92 -15.72 9.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.453 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -85.88 -15.53 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 1.0 OUTLIER -110.22 -9.25 14.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -73.39 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -148.11 16.66 1.35 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.56 90.86 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 103.24 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.569 1.168 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.618 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.1 Cg_endo -75.01 -40.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 6.1 m -43.96 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.519 ' N ' ' C ' ' A' ' 422' ' ' PRO . 7.4 mt-10 68.61 -106.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.624 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 7.5 m80 -131.64 46.4 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 1.036 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 168.08 90.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 162.13 172.47 29.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -103.14 137.1 41.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.89 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -119.54 117.43 28.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.334 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.89 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.73 168.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.5 t30 -108.17 134.72 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.21 163.31 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.57 122.57 20.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.9 -44.65 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.605 1.191 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 432' ' ' THR . 15.1 m -132.89 169.3 16.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.618 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 5.7 p90 -102.98 149.69 24.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -114.58 142.92 45.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.0 t -143.88 127.52 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 430' ' ' ILE . 45.6 mt-30 -80.97 160.5 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 444' ' ' TYR . 0.1 OUTLIER -93.7 155.3 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.461 HD13 ' OE1' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.06 106.48 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 68.68 -93.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.38 74.65 0.43 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 1.036 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.3 m-85 -103.03 160.97 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.759 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.3 t -101.93 -126.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.692 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.32 163.77 38.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.77 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.3 OUTLIER -118.92 6.88 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 87.61 62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 108.263 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 451' ' ' ILE . 17.9 pm0 -149.39 15.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.759 ' O ' ' N ' ' A' ' 445' ' ' THR . 33.3 mm -122.91 147.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 6.4 t0 -101.42 121.98 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.499 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.99 165.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.6 t-20 -101.66 92.23 4.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.497 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -64.14 -7.56 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 8.36 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.3 m -100.17 -26.27 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -4.61 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.614 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -144.28 56.55 4.18 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.95 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.679 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.66 20.87 2.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.5 tt0 86.8 -145.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 463' ' ' ASN . 2.9 p-10 -115.27 41.54 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.404 ' OD1' ' OE1' ' A' ' 488' ' ' GLU . 0.4 OUTLIER -151.19 38.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.679 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.02 134.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.534 ' CG2' ' O ' ' A' ' 466' ' ' THR . 0.5 OUTLIER -78.47 110.14 13.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 134.35 47.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.342 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.8 mt -134.09 95.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 469' ' ' ASP . . . . . 0.404 ' CG ' ' HA ' ' A' ' 454' ' ' ASN . 48.9 t0 -65.58 125.43 25.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -124.69 -172.71 2.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.66 114.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.59 27.29 0.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.62 158.25 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.614 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -142.24 160.55 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.475 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -141.16 134.64 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.645 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -114.98 121.69 43.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 477' ' ' ILE . 19.6 mm -92.06 115.67 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -173.35 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 58.7 mtp -83.19 152.25 64.57 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 55.48 3.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.7 -43.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 28.1 m-85 -112.72 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.0 tt0 -158.14 -178.33 7.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.149 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.71 -171.4 13.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.501 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -70.41 -34.44 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.501 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.83 6.59 27.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 52.1 m 44.2 47.25 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 4.3 tp10 -127.58 -1.33 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.94 117.19 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.659 ' O ' HG22 ' A' ' 491' ' ' THR . 5.2 p30 -71.33 90.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 490' ' ' ASN . 8.8 t 48.53 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -95.8 159.77 14.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 109.238 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.7 pm0 -146.2 22.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.5 p -95.34 12.86 27.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.33 -14.3 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 44.5 m -103.93 24.96 10.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 1.3 p -166.5 90.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 500' ' ' LEU . 17.9 Cg_endo -75.01 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.44 ' CB ' ' HA3' ' A' ' 503' ' ' GLY . 19.9 m 77.52 -48.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 500' ' ' LEU . 5.2 tp 69.66 170.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 29.2 m170 67.39 -110.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.486 ' O ' ' CD ' ' A' ' 517' ' ' PRO . 7.0 m-20 -106.02 -20.04 13.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 502' ' ' ASN . . . -32.99 111.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.03 115.83 26.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 7.3 p -77.85 141.75 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 108.21 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.658 HD23 ' CE ' ' A' ' 508' ' ' LYS . 1.3 tp -103.79 132.87 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.456 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -81.81 100.57 9.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.658 ' CE ' HD23 ' A' ' 506' ' ' LEU . 16.1 mmtt -111.4 154.13 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 3.9 pt -81.69 63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.372 1.045 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.84 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.37 -165.32 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 2.4 p90 -116.5 144.69 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 513' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -115.41 109.52 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.15 97.55 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 108.353 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.29 171.73 7.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 32.5 t -111.11 116.13 51.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 108.245 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.486 ' CD ' ' O ' ' A' ' 502' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 413' ' ' VAL . 13.0 t70 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.472 ' N ' ' OD2' ' A' ' 412' ' ' ASP . 0.3 OUTLIER -82.14 145.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 30.3 t0 -90.27 81.05 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.706 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -54.71 -15.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.448 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -86.08 -21.17 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.241 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 414' ' ' ASP . 2.5 t -96.39 -15.46 21.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -73.03 -90.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -153.85 22.57 0.7 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.8 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -114.75 105.5 53.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.508 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -36.05 2.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.7 m -43.78 -23.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 108.294 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.485 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.2 mm-40 69.5 -99.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.596 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 8.0 m80 -136.21 44.26 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.652 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.951 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 169.47 97.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 157.67 174.39 27.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.795 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -104.87 138.78 40.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.356 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.835 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.95 119.78 32.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 108.211 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.835 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.05 169.68 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.413 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 42.6 t30 -108.14 135.12 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -127.41 165.14 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 123.71 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.48 -46.52 3.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.0 m -133.03 173.38 11.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 17.9 p90 -104.61 162.16 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.2 tt0 -125.01 145.29 49.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.2 t -142.41 130.19 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.483 ' HG3' HD11 ' A' ' 430' ' ' ILE . 50.4 mt-30 -82.34 152.87 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 4.1 m -83.77 155.2 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -110.76 98.95 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.403 ' HB2' ' HA3' ' A' ' 472' ' ' GLY . 6.7 mm100 65.49 -100.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -113.08 69.46 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.951 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.0 OUTLIER -101.94 159.5 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.969 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.6 t -103.91 -123.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.439 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.713 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.59 160.37 35.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.594 1.183 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -30.62 7.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -116.72 -3.69 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.3 t 97.01 68.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.395 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.725 ' O ' HD13 ' A' ' 451' ' ' ILE . 3.0 pm0 -161.42 23.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.794 ' O ' ' N ' ' A' ' 445' ' ' THR . 42.2 mm -128.11 149.06 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.7 t0 -100.47 122.76 43.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -99.67 170.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 44.8 t-20 -101.73 104.89 15.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -83.63 -12.57 55.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.92 1.23 57.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 108.361 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.658 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -72.6 -60.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.658 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -93.3 3.09 56.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.655 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.8 OUTLIER -141.08 51.49 2.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.655 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.95 1.02 8.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 1.1 m 72.72 19.13 4.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 2.1 tt0 86.06 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 464' ' ' ASP . 5.1 p-10 -99.81 -26.12 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 463' ' ' ASN . 0.6 OUTLIER -84.62 50.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.54 125.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 16.0 m -79.21 107.88 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 110.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 133.23 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.4 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.509 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 1.6 mt -128.12 71.43 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.05 120.09 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -131.93 -176.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -54.36 118.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 33.71 38.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.86 154.51 11.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.81 160.3 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 3.2 mm100 -135.13 167.17 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.827 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 13.5 p -154.86 86.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 477' ' ' ILE . 3.1 mm -70.79 114.08 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 175.78 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 16.8 mtp -83.31 151.71 63.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.8 3.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -146.54 -43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 490' ' ' ASN . 60.0 m-85 -108.58 170.53 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 0.814 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.32 179.29 9.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.31 -175.14 16.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.564 1.165 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.498 HG13 ' ND1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -67.79 -33.66 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.629 0.84 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.498 ' ND1' HG13 ' A' ' 485' ' ' VAL . 4.9 m-70 -108.02 -5.2 17.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.567 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.58 40.99 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.464 ' HG3' HE22 ' A' ' 462' ' ' GLN . 2.9 tt0 -119.18 -2.86 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.412 HG23 ' OD1' ' A' ' 507' ' ' ASP . 1.7 m -97.33 124.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.71 ' H ' HG22 ' A' ' 509' ' ' ILE . 28.8 t-20 -66.06 145.59 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.8 t -40.67 161.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -177.21 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.453 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.3 OUTLIER -158.08 25.34 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.46 41.79 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 108.342 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.09 61.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 496' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 497' ' ' SER . 1.5 m -125.06 51.55 1.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 1.084 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 496' ' ' SER . 0.3 OUTLIER 159.62 70.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.28 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 23.9 p -47.32 103.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.957 ' C ' HD23 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -141.64 22.62 2.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.434 ' ND1' ' CD2' ' A' ' 500' ' ' LEU . 15.3 m80 -119.25 -53.65 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -12.87 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -167.16 171.98 42.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.591 1.182 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -116.26 113.01 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.7 OUTLIER -61.61 113.34 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.386 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.426 HD23 ' HD3' ' A' ' 508' ' ' LYS . 0.7 OUTLIER -100.17 131.44 46.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER -90.07 95.16 10.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.426 ' HD3' HD23 ' A' ' 506' ' ' LEU . 2.7 mmmt -91.5 156.67 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.71 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.0 OUTLIER -77.61 56.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.19 -56.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -145.24 -163.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.453 ' HB3' ' CG ' ' A' ' 493' ' ' GLU . 12.2 p90 -121.5 139.14 53.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.97 108.86 9.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 4.6 t -77.6 105.88 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -163.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 2.0 t -98.42 140.18 21.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.288 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.362 1.248 0 O-C-N 124.368 1.72 . . . . 0.0 110.939 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.916 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -103.08 156.05 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.18 77.06 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.5 mp0 -54.45 -20.95 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.572 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.9 OUTLIER -77.77 -20.34 53.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 108.346 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.448 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 47.2 t -96.86 -27.99 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -65.67 -78.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.78 30.81 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.37 81.04 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 424' ' ' GLU . 6.8 t30 -120.19 106.77 40.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.49 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -74.94 -30.96 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 98.7 m -48.83 -19.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.411 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.5 mm-40 69.15 -100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -132.17 37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.959 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -178.09 94.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 1.187 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.934 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.96 171.94 22.9 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -104.17 127.31 51.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 0.715 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.705 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -109.04 111.82 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.415 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.781 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -112.96 170.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 432' ' ' THR . 32.7 t-20 -108.24 136.52 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.69 163.85 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -70.79 122.84 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.26 -44.96 3.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 432' ' ' THR . 32.1 t -132.5 169.11 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.038 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.572 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 2.8 p90 -105.09 144.53 31.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.5 tt0 -107.77 144.77 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 11.8 t -143.52 125.52 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 430' ' ' ILE . 27.2 mt-30 -82.69 156.35 23.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.5 p -87.01 155.38 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 108.378 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.934 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -116.7 134.1 55.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.629 ' OE1' HD12 ' A' ' 441' ' ' LEU . 1.1 mt-30 52.15 -98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -130.75 73.67 0.46 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.959 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -102.25 162.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.888 ' CG2' HG22 ' A' ' 451' ' ' ILE . 3.4 t -101.3 -124.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.477 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.04 157.58 11.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -22.57 14.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.434 1.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 17.8 mmt-85 -112.6 -6.23 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 88.1 56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.723 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.44 6.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.888 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.6 OUTLIER -106.04 147.34 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.05 120.99 40.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -98.54 169.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.537 ' N ' HG22 ' A' ' 453' ' ' VAL . 41.6 t-20 -100.87 101.68 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.561 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.3 pm0 -82.41 -10.5 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.3 OUTLIER -97.69 13.05 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -85.51 -59.19 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.648 ' N ' HG12 ' A' ' 457' ' ' VAL . 3.4 m -93.58 7.41 44.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.707 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.6 OUTLIER -142.32 48.33 1.07 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.3 Cg_endo -75.01 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 96.0 m 72.11 21.25 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.0 OUTLIER 80.47 -176.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -67.68 -43.97 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 2.8 t70 -70.34 60.92 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 164.29 113.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -75.75 107.26 7.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.488 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.2 OUTLIER -68.43 147.33 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 1.045 . . . . 0.0 108.269 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 45.4 mt -138.01 90.16 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.66 120.75 13.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.227 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.2 OUTLIER -124.07 -178.84 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -56.54 120.28 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 34.34 40.96 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.485 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.24 167.09 18.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 0.82 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.561 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.5 OUTLIER -141.13 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.513 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -133.31 176.19 8.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 466' ' ' THR . 16.9 p -178.18 106.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 108.245 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 477' ' ' ILE . 7.4 mm -69.86 159.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 478' ' ' CYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -111.53 155.64 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.207 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 10.5 mtt -98.0 148.64 34.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -179.53 -35.56 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -112.6 171.01 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.77 -177.94 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.31 -177.72 23.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.48 -20.68 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 485' ' ' VAL . 4.4 m-70 -104.58 8.74 35.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 465' ' ' ALA . 63.0 m 42.69 31.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.577 ' OE2' HD13 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -125.39 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.4 t -89.25 102.68 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.204 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 491' ' ' THR . 3.0 p30 -64.13 90.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER 51.95 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 491' ' ' THR . 5.1 p-10 -78.08 -171.98 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 512' ' ' PHE . 2.2 mp0 -156.57 38.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.41 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -166.78 49.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.22 62.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.7 m -108.62 23.99 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 1.8 m -140.96 87.5 10.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.5 Cg_endo -75.07 -13.17 21.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 12.3 m 70.86 -54.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 500' ' ' LEU . 0.2 OUTLIER 79.4 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.376 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -69.54 -4.88 20.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -73.0 -13.79 61.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.442 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 155.75 -165.83 32.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.476 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -126.38 142.6 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 4.1 m -87.25 122.04 30.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.31 131.2 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 3.5 t0 -93.68 90.44 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -94.37 147.24 23.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 509' ' ' ILE . 3.0 mp -80.36 53.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.63 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.13 -167.61 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.0 OUTLIER -118.89 145.04 46.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.36 116.3 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 514' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 512' ' ' PHE . 7.6 t -87.93 73.36 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.317 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.476 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -44.95 170.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.382 1.051 . . . . 0.0 110.237 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.75 140.01 21.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 108.265 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.442 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.43 1.752 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.472 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.8 t70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.61 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -91.68 78.51 5.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.605 1.191 . . . . 0.0 109.275 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -54.72 -16.78 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -83.07 -20.83 34.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.4 t -97.82 -18.98 18.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -72.16 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.83 24.05 0.41 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.05 80.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.422 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.2 t30 -118.36 105.7 45.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.522 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.96 -41.47 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.0 m -46.65 -22.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 108.282 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 9.1 mt-10 77.39 -71.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' A' ' 424' ' ' GLU . 18.7 m80 -155.32 -42.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.518 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.872 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -93.94 81.96 4.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 175.46 176.63 43.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.569 1.168 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.86 121.17 44.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.756 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.25 115.1 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -116.6 169.85 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.2 t30 -107.25 137.15 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.57 167.98 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.2 mt -74.02 124.18 25.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.96 3.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.9 m -132.83 172.66 12.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.541 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 15.3 p90 -106.0 144.95 32.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -108.24 142.85 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 22.9 t -142.8 124.3 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.589 ' HG3' HD11 ' A' ' 430' ' ' ILE . 15.9 mt-30 -82.1 155.61 24.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.437 1.086 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 155.88 19.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.482 HD13 ' OE1' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.42 127.27 53.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.482 ' OE1' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 42.42 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 443' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 441' ' ' LEU . . . -120.97 73.8 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.872 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.2 m-85 -102.67 161.11 14.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.986 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.6 -122.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.793 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 78.96 155.74 9.21 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 447' ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -23.1 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 42.9 mmm-85 -114.81 -2.24 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 85.87 61.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -154.33 21.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.986 HG22 ' CG2' ' A' ' 445' ' ' THR . 2.8 mp -125.66 144.68 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.45 123.16 40.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.9 OUTLIER -99.49 160.93 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.831 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.2 t-20 -101.09 91.5 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.529 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.7 pm0 -62.72 -12.01 21.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -0.48 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 108.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 454' ' ' ASN . 29.1 m -78.74 -30.47 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 -6.62 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.527 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -146.3 58.98 5.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.09 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 92.3 m 72.15 20.14 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.301 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 462' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 78.19 -157.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.03 -34.47 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -25.82 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -112.49 123.15 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 15.6 m -69.87 110.44 4.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 147.76 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 468' ' ' LEU . 9.5 mt -154.95 80.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.39 127.1 30.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.397 1.061 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -122.95 179.0 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -62.84 123.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.608 1.193 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.65 28.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.49 156.75 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.84 148.5 38.92 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.586 1.179 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.43 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -134.39 154.89 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.547 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 24.5 p -138.82 124.7 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 477' ' ' ILE . 2.1 mm -78.21 113.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.73 -177.59 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 6.5 mmt -83.91 148.7 54.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 54.87 3.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -174.13 -41.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -103.73 121.23 42.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.61 0.829 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.588 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 3.6 tt0 -160.23 176.77 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.06 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 151.09 -162.11 29.33 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.581 1.176 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.598 HG13 ' ND1' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -57.24 -29.83 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.598 ' ND1' HG13 ' A' ' 485' ' ' VAL . 10.6 m-70 -108.55 -12.47 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.666 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 77.57 12.7 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 488' ' ' GLU . 0.0 OUTLIER -124.6 28.33 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 77.6 t -108.66 130.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 491' ' ' THR . 19.5 t-20 -63.36 132.02 50.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 490' ' ' ASN . 4.5 t -39.42 160.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.06 170.39 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.54 30.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 53.5 m -107.54 -26.41 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.74 62.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.9 m -134.68 55.07 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 78.8 p -179.03 85.42 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -75.0 78.63 2.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.12 -3.34 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 500' ' ' LEU . 1.4 tp 46.28 -156.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.338 1.024 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.59 19.75 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -102.37 3.69 38.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 515' ' ' GLU . . . 171.77 172.33 37.66 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.584 1.178 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 26.1 mmt85 -125.06 113.85 18.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.3 114.18 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 108.352 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.6 136.15 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.8 83.82 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -85.08 159.42 20.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.85 64.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 172.42 -35.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -172.17 178.76 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -105.09 144.68 31.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -128.63 122.17 30.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 514' ' ' CYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 512' ' ' PHE . 16.9 t -91.96 98.93 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 108.299 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 3.2 pt-20 -83.13 -173.19 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 148.93 35.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.413 ' HB2' HD23 ' A' ' 433' ' ' LEU . 15.8 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.826 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.6 p -87.86 150.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 31.7 t0 -85.76 76.62 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.824 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -59.29 -13.33 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -14.58 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.36 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.57 -13.03 12.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 413' ' ' VAL . 8.4 mt -73.32 -89.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -147.78 17.17 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.86 83.57 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.799 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.422 ' ND2' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t-20 -116.79 108.3 44.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.51 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.06 -39.63 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 6.1 m -44.76 -24.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.251 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER 72.38 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 4.3 p80 -144.84 34.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.907 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 179.41 101.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.27 23.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -97.52 126.58 42.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.758 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -113.01 110.72 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.269 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.783 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -114.34 168.86 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 432' ' ' THR . 13.6 t30 -108.61 135.2 50.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.35 163.31 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.447 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.1 mt -71.92 122.54 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.36 -44.79 3.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.7 m -133.33 168.75 18.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.402 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 19.6 p90 -101.33 147.86 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.8 tt0 -113.3 145.36 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.9 t -142.69 125.99 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.364 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.676 ' HG3' HD11 ' A' ' 430' ' ' ILE . 29.2 mt-30 -82.83 154.7 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.449 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.6 m -85.58 165.84 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 1.085 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -149.32 143.59 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.464 ' CB ' HD22 ' A' ' 441' ' ' LEU . 0.1 OUTLIER 54.5 -98.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.54 72.15 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.592 1.182 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.907 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -102.25 159.73 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.929 HG23 HG22 ' A' ' 451' ' ' ILE . 1.4 t -104.06 -117.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.899 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 85.67 161.15 34.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 447' ' ' PRO . . . . . 0.436 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -75.08 -35.5 3.05 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.608 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -109.61 -5.22 15.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.374 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.608 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 2.4 t 96.62 71.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.84 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.3 pm0 -166.16 26.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 445' ' ' THR . 1.9 mp -130.18 145.97 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -98.7 129.42 45.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.406 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.2 OUTLIER -97.37 163.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 457' ' ' VAL . 35.9 t-20 -102.01 95.14 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 19.2 mp0 -60.72 -9.81 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -85.76 10.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 454' ' ' ASN . 24.2 m -86.22 -32.15 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 74.3 m -115.61 -2.15 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -145.73 57.99 4.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.08 -6.02 17.48 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.984 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 73.11 22.48 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 2.7 pt20 43.39 -147.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.9 m-80 -99.1 41.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.3 OUTLIER -136.92 25.74 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 179.2 145.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -82.36 109.33 16.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.84 146.2 50.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 108.291 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.1 mt -160.9 88.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.587 1.179 . . . . 0.0 109.22 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.61 138.84 57.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -125.86 -169.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.545 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -71.03 119.98 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.99 22.28 0.3 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.2 OUTLIER -168.5 153.23 6.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.753 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 9.4 p90 -124.06 161.15 26.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -140.83 136.97 32.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 466' ' ' THR . 14.3 p -128.15 112.43 14.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 477' ' ' ILE . 17.4 mm -79.42 119.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -177.42 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 11.2 mmt -85.21 148.01 49.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 54.64 3.71 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -147.46 -40.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -101.95 171.28 7.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.515 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -154.08 -176.95 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 105.43 -173.86 20.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.485 HG12 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -79.43 -24.21 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -99.45 -7.87 25.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.6 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 22.3 m 60.85 15.21 5.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.49 6.53 28.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.5 t -88.39 104.81 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.23 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 491' ' ' THR . 17.2 t-20 -67.14 143.31 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 490' ' ' ASN . 13.7 t -38.46 157.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.33 150.36 24.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -138.54 24.5 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.42 -10.53 55.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.67 -14.89 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.3 m -109.22 97.61 7.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 4.6 m 63.6 91.56 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.216 . . . . 0.0 110.023 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.03 -22.2 14.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 40.13 57.39 2.41 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 502' ' ' ASN . 0.9 OUTLIER -87.57 161.84 17.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.5 m-70 69.76 -58.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 109.646 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 500' ' ' LEU . 12.7 p30 -85.31 4.03 36.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . 172.5 178.88 42.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 116.9 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.77 114.4 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -103.01 131.35 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.24 92.62 7.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -96.98 165.68 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.27 -65.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -47.74 -69.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -160.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -104.71 144.76 31.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.89 117.13 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.16 97.72 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -66.63 -176.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.38 142.49 24.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 501' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.586 1.835 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.71 151.18 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 18.0 t0 -87.75 78.26 8.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.533 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mt-10 -55.05 -14.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.08 24.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 108.254 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 20.0 t -76.28 -30.58 57.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 418' ' ' LEU . 2.7 mt -46.84 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 176.01 33.08 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.96 89.53 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.44 118.2 66.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.382 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 438' ' ' CYS . 18.2 Cg_endo -74.92 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 71.9 m -59.76 -12.34 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 423' ' ' CYS . 2.3 mt-10 84.05 -66.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -161.03 -41.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.603 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -86.01 76.95 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.933 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 173.68 -179.02 45.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -114.79 131.72 56.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 0.82 . . . . 0.0 109.211 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -111.34 122.89 49.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 108.346 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.807 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -122.05 171.17 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 432' ' ' THR . 12.6 t30 -107.48 134.21 50.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -123.05 171.05 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.89 122.2 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.95 -44.67 3.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 6.3 m -132.59 174.47 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -104.46 146.14 29.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.193 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 430' ' ' ILE . 8.5 tt0 -113.88 150.69 33.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 3.5 t -144.18 125.37 14.6 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.807 ' HG3' HD11 ' A' ' 430' ' ' ILE . 25.9 mt-30 -70.81 149.51 46.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.9 m -82.5 158.45 23.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.933 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -119.19 104.43 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 441' ' ' LEU . 0.0 OUTLIER 69.29 -94.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 110.245 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -128.33 76.35 0.41 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.603 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -103.9 160.91 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.91 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.1 t -102.47 -121.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.786 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.44 162.63 37.28 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -30.64 6.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.633 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 31.2 mmm180 -116.67 -6.8 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.633 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.7 t 100.27 71.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.182 . . . . 0.0 108.301 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 1.025 ' C ' HD12 ' A' ' 451' ' ' ILE . 2.9 pm0 -163.03 21.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 1.025 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.8 mp -128.76 146.8 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 18.8 t70 -97.69 125.18 42.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.9 p -97.84 168.82 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.55 ' N ' HG22 ' A' ' 453' ' ' VAL . 34.6 t-20 -101.9 105.83 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.521 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.3 pm0 -85.82 -16.85 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.77 10.56 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -76.44 -57.2 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.614 ' N ' HG12 ' A' ' 457' ' ' VAL . 8.8 t -90.58 3.27 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.684 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.9 OUTLIER -140.59 49.96 1.92 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.97 4.98 4.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.406 1.74 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 1.038 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 80.17 21.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 77.9 mt-30 69.03 -112.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -137.11 13.4 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.386 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -118.37 43.65 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 169.83 149.69 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.0 m -97.71 108.95 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -70.39 133.29 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 108.359 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.8 mt -126.46 88.04 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.01 121.07 13.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.79 -171.33 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -73.27 123.31 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 40.83 25.91 0.13 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -166.64 154.11 9.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.1 OUTLIER -142.89 151.69 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' LEU . 6.4 pt20 -144.08 134.77 24.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.9 OUTLIER -109.71 126.47 53.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 477' ' ' ILE . 1.8 mp -87.49 109.7 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 478' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -109.71 -176.74 3.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 19.5 mmt -84.28 151.84 60.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.02 4.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.76 -43.58 0.03 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -108.88 170.47 8.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.686 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -157.29 -179.96 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.41 -163.22 12.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -36.85 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 487' ' ' CYS . 0.0 OUTLIER -107.5 9.9 29.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 98.4 m 41.22 50.41 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 509' ' ' ILE . 3.7 tp10 -126.73 0.65 6.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.651 1.219 . . . . 0.0 110.28 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.09 129.63 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 491' ' ' THR . 14.1 p30 -75.3 92.5 2.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.385 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 490' ' ' ASN . 89.0 m 53.59 168.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 491' ' ' THR . 0.6 OUTLIER -89.71 166.65 13.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 493' ' ' GLU . 36.7 mp0 -148.82 30.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -140.47 31.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.24 -15.14 61.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -41.58 8.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.09 102.24 45.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.933 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.477 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.08 -12.67 21.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 77.4 m 70.98 -54.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.365 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 500' ' ' LEU . 0.2 OUTLIER 78.96 -157.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -81.54 5.37 18.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.659 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.29 2.15 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 500' ' ' LEU . . . 175.0 159.74 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.475 ' HB3' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -116.04 113.77 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.1 OUTLIER -78.64 104.65 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.245 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' ' CD2' ' A' ' 512' ' ' PHE . 1.4 mp -78.29 144.17 36.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.614 ' CG ' HG21 ' A' ' 489' ' ' VAL . 14.1 t0 -105.25 81.67 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -82.98 161.68 21.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 488' ' ' GLU . 0.3 OUTLIER -82.38 71.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.4 OUTLIER 163.98 -40.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.5 175.43 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.238 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 494' ' ' CYS . 0.7 OUTLIER -104.22 145.23 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.32 108.89 10.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 5.1 t -75.98 106.38 7.54 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 504' ' ' ARG . 3.3 pt-20 -92.44 -162.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.54 142.2 24.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.536 1.809 . . . . 0.0 110.954 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.462 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.6 t70 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.512 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.5 OUTLIER -90.54 155.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -87.99 77.14 8.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.699 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -58.44 -15.77 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.13 -19.03 44.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.7 t -104.27 -20.35 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -68.75 -81.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -160.46 25.23 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.35 77.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.414 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t30 -116.0 106.07 50.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.482 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.3 Cg_endo -74.99 -40.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 84.0 m -50.47 -18.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.306 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.7 mt-10 77.59 -75.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.699 ' CE1' HG21 ' A' ' 471' ' ' ILE . 1.5 p80 -143.04 -43.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.755 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -97.82 108.12 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.11 169.88 19.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -103.47 121.14 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.731 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.56 115.42 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 108.286 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.781 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.38 170.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.372 1.045 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 432' ' ' THR . 9.6 t30 -106.14 132.26 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -122.5 169.3 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.462 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.3 mt -76.94 121.39 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.231 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.02 -43.77 3.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 432' ' ' THR . 11.1 m -132.86 168.24 18.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -101.6 144.94 29.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.9 tt0 -108.62 144.6 36.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 19.0 t -142.26 125.35 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.743 ' HG3' HD11 ' A' ' 430' ' ' ILE . 5.8 mt-30 -86.69 160.64 18.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.8 m -84.24 174.64 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.649 ' O ' HD22 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -155.8 126.59 6.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.1 OUTLIER 67.26 -98.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -142.18 71.21 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.755 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.5 m-85 -104.59 160.64 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.807 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.4 t -103.32 -121.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.754 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.13 155.61 19.48 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.27 9.28 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.396 1.735 . . . . 0.0 110.965 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.6 mmt180 -109.72 -6.63 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.0 OUTLIER 92.76 60.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 108.264 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -158.08 24.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.807 ' O ' ' N ' ' A' ' 445' ' ' THR . 32.8 mm -124.42 147.88 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.0 122.48 42.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.22 166.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.502 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 49.7 t-20 -102.24 109.45 21.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.2 pm0 -86.53 -19.49 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 3.0 p -87.13 8.34 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -73.64 -57.8 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.619 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -95.85 4.87 52.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.674 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.9 OUTLIER -141.51 50.38 1.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -74.97 4.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 1.0 OUTLIER 73.31 20.1 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.369 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 488' ' ' GLU . 0.5 OUTLIER 78.12 -173.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.24 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -68.29 -42.45 79.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.9 t70 -73.63 64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 163.35 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.3 m -86.09 122.55 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -81.55 123.44 28.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.36 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.9 mt -123.19 79.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 120.9 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.5 -177.0 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.699 HG21 ' CE1' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -64.92 122.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.414 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.74 28.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.571 1.17 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -165.84 154.99 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.533 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.16 154.91 45.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 1.1 pt20 -143.82 134.42 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 17.7 p -115.97 133.46 56.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.328 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 10.9 mm -96.46 157.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.55 166.2 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 3.5 mmt -112.94 150.11 42.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.32 5.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -168.77 -40.67 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.577 1.173 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 34.1 m-85 -120.22 170.29 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.37 -179.06 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.64 -161.29 12.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.709 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -80.55 -34.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.709 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 9.8 m170 -107.4 -5.7 17.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.553 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.422 ' HA ' ' C ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 59.87 34.35 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.257 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 462' ' ' GLN . 40.2 tp10 -103.61 -3.58 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.981 ' HA ' HG22 ' A' ' 509' ' ' ILE . 0.7 OUTLIER -88.7 117.2 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.576 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 18.5 p30 -77.27 89.54 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.655 HG23 ' N ' ' A' ' 492' ' ' ASP . 0.7 OUTLIER 40.36 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.655 ' N ' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -72.48 175.76 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -134.5 27.81 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.01 32.98 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.632 1.208 . . . . 0.0 108.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.91 -14.08 61.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.2 m -95.31 -63.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.78 93.11 36.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.98 89.35 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.4 m -68.33 58.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -100.87 113.44 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.624 ' CG ' ' O ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER 157.14 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -102.52 4.28 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.361 1.038 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -140.39 157.75 25.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 517' ' ' PRO . 0.3 OUTLIER -119.86 113.33 20.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 514' ' ' CYS . 1.7 m -72.03 110.46 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.47 131.43 35.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.538 ' OD1' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -84.18 91.6 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -107.92 139.56 42.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.981 HG22 ' HA ' ' A' ' 489' ' ' VAL . 2.4 pp -48.39 108.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.461 ' CA ' ' OE1' ' A' ' 493' ' ' GLU . 23.0 m-20 54.49 58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 511' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 510' ' ' ASN . 2.1 mt-10 164.9 137.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.455 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 13.1 p90 -121.55 145.16 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.42 108.52 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 514' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 29.4 m -82.24 67.21 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.408 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.2 OUTLIER -68.09 -147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 516' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -98.7 142.47 24.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 504' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -84.49 148.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 14.8 t0 -89.16 78.74 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.466 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mp0 -57.33 -10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -92.74 -18.08 23.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 108.338 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 9.1 t -83.14 -27.8 29.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.373 1.045 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 418' ' ' LEU . 5.2 mt -40.64 -50.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 143.51 -13.66 2.25 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -88.69 77.82 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.402 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.6 t30 -81.95 115.1 55.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.98 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.56 1.821 . . . . 0.0 111.068 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HB3' ' HA3' ' A' ' 427' ' ' GLY . 3.2 m -45.71 -20.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 15.7 mt-10 85.89 -72.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 424' ' ' GLU . 59.1 m80 -159.98 -40.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.477 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -95.77 81.73 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.551 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 172.6 172.66 38.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.65 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -110.38 140.21 44.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.749 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -116.52 108.62 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 108.286 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.762 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.2 171.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.2 t30 -105.16 137.45 42.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.493 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -128.02 173.75 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.48 122.52 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 80.86 -45.23 3.12 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.3 m -133.32 174.03 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.519 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 52.5 p90 -100.07 154.14 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 7.6 tt0 -114.88 149.51 37.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.65 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.0 t -137.99 134.05 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 430' ' ' ILE . 78.0 mt-30 -79.23 143.2 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.56 138.66 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 108.365 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.551 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -107.86 100.64 9.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 472' ' ' GLY . 0.3 OUTLIER 69.95 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -131.83 76.29 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 0.4 OUTLIER -102.4 161.26 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 111.083 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.016 ' CG2' HG22 ' A' ' 451' ' ' ILE . 5.0 t -104.58 -130.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.819 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.03 159.17 28.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 19.7 mmm180 -119.1 7.25 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 82.71 59.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 1.01 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.31 12.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 1.016 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -124.8 136.81 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 7.9 t0 -95.48 128.63 42.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 2.2 p -96.31 169.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.663 1.227 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 22.6 t-20 -101.57 104.18 15.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 10.8 pm0 -84.18 -14.34 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 7.4 t -90.52 6.97 41.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 108.349 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -77.36 -59.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 457' ' ' VAL . 13.6 m -96.34 5.29 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.681 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -140.5 50.27 2.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.92 3.05 5.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.3 m 72.26 21.43 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.581 1.176 . . . . 0.0 108.373 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 486' ' ' HIS . 27.4 mt-30 78.91 -156.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.83 -16.3 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.79 45.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.31 124.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -68.41 109.46 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.03 129.76 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 108.236 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 13.4 mt -143.9 81.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.204 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 469' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 455' ' ' GLU . 5.2 t70 -67.35 127.08 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -117.19 -175.18 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.562 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.42 122.65 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 40.94 25.63 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -166.35 154.72 10.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.61 151.86 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.95 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.444 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -136.99 141.42 42.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 4.9 p -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 477' ' ' ILE . 2.7 mm -68.74 157.18 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.266 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.27 167.15 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 44.4 mtp -106.25 151.43 40.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 60.19 5.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.49 -39.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 482' ' ' TYR . 7.0 m-85 -125.04 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.863 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -146.01 -178.92 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.69 -154.77 17.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.093 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.95 -38.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.561 0.801 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.446 ' CD2' ' HG3' ' A' ' 462' ' ' GLN . 3.3 m-70 -106.28 -0.31 24.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 m 52.23 51.85 15.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.61 1.194 . . . . 0.0 108.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -131.55 4.01 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.9 OUTLIER -89.89 129.79 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.628 1.205 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.4 p30 -67.95 91.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.4 OUTLIER 52.87 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 491' ' ' THR . 0.8 OUTLIER -82.26 162.95 22.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 512' ' ' PHE . 1.5 mp0 -143.46 28.66 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.5 t -87.84 -11.25 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.95 71.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 496' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 497' ' ' SER . 0.6 OUTLIER -86.89 109.43 19.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 496' ' ' SER . 62.1 p 38.57 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.408 ' C ' ' SG ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 503' ' ' GLY . 0.5 OUTLIER 43.14 58.58 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 502' ' ' ASN . 33.7 mt -63.9 144.77 56.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.409 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.7 m-70 69.85 -59.34 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 500' ' ' LEU . 4.6 m120 -71.05 -6.44 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . -171.73 158.37 29.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -113.99 125.87 54.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.53 139.74 57.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 513' ' ' GLN . 4.8 tp -125.77 131.44 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.64 ' CG ' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -97.81 97.54 9.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -107.68 156.34 19.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.688 HG22 ' HA ' ' A' ' 489' ' ' VAL . 3.7 pt -88.3 65.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.87 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -171.22 -165.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -115.52 145.14 42.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 513' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -116.75 131.18 57.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 44.5 t -95.87 86.65 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 504' ' ' ARG . 2.8 mm-40 -48.95 165.18 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 p -111.9 134.22 21.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.085 0 O-C-N 124.523 1.802 . . . . 0.0 111.058 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.23 158.22 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 417' ' ' SER . 45.6 t0 -89.03 79.69 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.53 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.2 mp0 -52.77 -17.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.426 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -85.89 -23.9 26.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 414' ' ' ASP . 25.5 t -74.06 -28.11 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 418' ' ' LEU . 0.9 OUTLIER -53.52 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -172.2 26.83 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.47 89.66 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.386 0.698 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.426 ' OD1' ' SG ' ' A' ' 416' ' ' CYS . 1.6 t30 -114.92 105.09 53.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 17.9 Cg_endo -75.1 -38.96 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.561 1.821 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 30.1 m -49.51 -19.98 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 108.358 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.465 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.8 mm-40 68.38 -108.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.29 11.69 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 1.041 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -149.9 91.92 1.84 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.597 1.186 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.72 177.59 38.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.117 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.2 OUTLIER -117.73 111.43 19.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.384 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 115.34 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 108.317 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -117.2 169.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 432' ' ' THR . 7.1 t30 -105.03 134.29 48.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -123.82 171.9 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.31 122.35 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.61 -45.3 3.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.6 m -130.58 172.85 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -105.65 138.31 42.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 430' ' ' ILE . 7.8 tt0 -102.28 145.07 29.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.7 t -143.19 123.96 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 108.287 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 428' ' ' LYS . 8.2 mt-30 -78.28 159.21 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 158.36 15.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER -108.37 111.45 23.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 54.83 -103.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -109.43 69.78 0.21 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 1.041 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -100.54 158.36 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.353 0.678 . . . . 0.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.796 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -103.06 -124.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.801 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.92 157.69 14.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.82 9.74 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.819 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 10.1 mmt180 -107.43 -9.93 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.6 t 93.33 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -148.86 12.1 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.801 ' HB ' ' N ' ' A' ' 446' ' ' GLY . 5.9 mm -110.57 148.62 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -101.55 120.18 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.51 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.3 p -99.28 164.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.392 1.058 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.883 ' O ' HG22 ' A' ' 457' ' ' VAL . 62.2 t-20 -101.47 90.95 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.7 pm0 -61.48 -13.21 19.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -2.13 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 454' ' ' ASN . 19.4 m -83.38 -26.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 -4.74 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 1.1 m120 -149.26 58.76 3.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.91 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.593 1.838 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.38 18.29 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.355 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 83.21 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 464' ' ' ASP . 1.3 p-10 -77.61 -38.15 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.408 ' N ' ' ND2' ' A' ' 463' ' ' ASN . 0.5 OUTLIER -76.58 57.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.79 128.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 48.1 m -80.01 110.59 15.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 131.26 43.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 468' ' ' LEU . 6.2 mt -134.56 77.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 469' ' ' ASP . . . . . 0.402 ' HB2' ' OD1' ' A' ' 454' ' ' ASN . 8.7 t0 -65.14 133.45 51.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -137.87 -171.61 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.575 HG22 ' CB ' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -52.73 116.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 29.81 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 471' ' ' ILE . 22.1 tt0 -162.67 154.83 18.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.631 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.75 143.82 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 468' ' ' LEU . 10.6 pt20 -131.09 134.79 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 23.0 p -117.41 117.86 30.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.246 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 26.3 mm -81.58 141.05 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 47.4 m -101.25 151.08 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.374 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.8 151.7 55.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.13 3.77 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.505 1.792 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 174.48 -33.48 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -110.88 169.93 8.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.516 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -156.93 179.49 9.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.8 -168.56 12.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.484 ' HE1' HG12 ' A' ' 489' ' ' VAL . 0.0 OUTLIER -106.22 11.31 31.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.626 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.1 m 42.38 50.75 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -128.26 2.22 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.392 1.058 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.86 129.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.421 ' HB2' HG23 ' A' ' 509' ' ' ILE . 13.5 t30 -73.19 129.61 38.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 493' ' ' GLU . 7.9 t -83.11 144.39 29.9 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.88 147.36 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -125.24 2.64 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 25.0 m -102.73 54.31 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 108.268 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.4 77.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 496' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' SER . 3.9 t -156.72 -138.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' SER . 0.4 OUTLIER 35.31 74.76 0.53 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 1.89 7.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 503' ' ' GLY . 2.7 m 56.46 40.2 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -49.58 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.44 ' HB3' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 82.6 -42.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.579 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -20.3 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.393 1.058 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . 144.61 -150.55 22.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -129.65 146.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 0.784 . . . . 0.0 110.257 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 42.7 t -91.77 133.3 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 108.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.58 135.25 55.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -99.4 96.19 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 510' ' ' ASN . 31.3 mtpt -99.25 138.74 35.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 509' ' ' ILE . 2.4 mp -63.43 79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.0 m-20 157.29 -39.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.06 170.83 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 493' ' ' GLU . 37.1 p90 -106.2 126.16 51.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.59 116.47 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 514' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 1.8 t -81.95 90.04 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 167.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.8 t -97.99 138.73 20.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.466 ' CG ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.664 HG22 HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.61 146.22 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.0 78.35 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -53.35 -19.41 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.445 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.4 OUTLIER -78.73 -23.43 45.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.5 t -98.52 -17.87 18.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.9 mt -76.11 -84.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -159.82 24.58 0.3 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.23 77.58 1.64 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.59 107.29 36.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.95 -32.7 5.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -41.91 -27.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.304 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 24.5 mt-10 85.34 -63.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.555 ' NE2' ' CG2' ' A' ' 471' ' ' ILE . 0.3 OUTLIER -161.13 -41.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.465 ' H ' ' CD2' ' A' ' 425' ' ' HIS . . . -106.32 105.4 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 160.78 164.13 15.15 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.623 1.202 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 430' ' ' ILE . 3.0 ttmt -92.78 129.3 38.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 0.695 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.789 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -118.64 121.75 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 108.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.789 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -120.26 169.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.9 t30 -109.3 136.39 48.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 0.0 109.229 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.46 170.42 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.348 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.25 123.1 25.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.38 -44.72 3.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.8 t -133.17 173.76 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.415 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 24.6 p90 -106.82 161.27 14.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -125.66 143.92 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 450' ' ' GLU . 46.1 t -142.25 125.06 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 12.7 mt-30 -86.46 148.8 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 1.8 p -86.87 171.24 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 108.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.79 149.46 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.486 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.5 OUTLIER 53.85 -100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -140.01 75.1 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.655 ' CE1' HD11 ' A' ' 441' ' ' LEU . 1.9 m-85 -103.16 161.67 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.932 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.45 -122.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.46 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.799 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 77.97 155.05 7.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 447' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -75.15 -21.51 15.52 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 16.2 mmt-85 -112.94 -8.55 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 90.73 56.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -149.46 16.78 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.932 HG22 ' CG2' ' A' ' 445' ' ' THR . 3.2 mp -120.34 146.07 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 14.5 t70 -98.97 124.6 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -98.5 165.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 1.6 t-20 -98.11 134.81 40.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.4 pm0 -120.15 -8.51 9.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.8 p -105.75 3.91 29.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 108.191 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -78.94 -52.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.5 OUTLIER -98.93 -0.86 41.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.4 OUTLIER -139.07 54.76 6.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.07 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.592 1.838 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 462' ' ' GLN . 9.6 m 80.36 1.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.58 ' O ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 34.29 -162.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 0.0 OUTLIER 79.56 -40.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.5 OUTLIER 150.75 -19.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.234 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -40.49 136.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.2 m -82.8 109.2 16.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.478 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.0 OUTLIER -69.14 121.75 17.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 467' ' ' CYS . 14.1 mt -125.45 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.62 121.44 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.03 -179.05 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -69.91 117.58 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.14 1.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 470' ' ' GLN . 17.7 pt-20 -164.81 154.2 13.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -142.84 155.06 44.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.6 138.35 27.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.483 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 25.8 p -117.82 122.52 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.254 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 477' ' ' ILE . 1.1 mm -85.5 110.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.07 169.25 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.379 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 28.1 mmt -83.1 151.35 63.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.06 4.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.28 -43.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -99.31 166.98 10.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 111.029 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.3 OUTLIER -158.02 178.32 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 110.61 -174.45 17.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.591 1.182 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.47 HG13 ' ND1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -69.84 -37.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.5 0.764 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.47 ' ND1' HG13 ' A' ' 485' ' ' VAL . 5.3 m-70 -108.04 15.03 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 486' ' ' HIS . 1.8 t 42.14 43.23 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.383 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.52 0.02 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.89 127.69 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.41 ' CG ' ' OD1' ' A' ' 507' ' ' ASP . 36.0 t-20 -73.61 124.28 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 23.5 m -58.07 129.19 40.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -100.59 137.29 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -126.3 8.37 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.1 p -132.89 39.23 3.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.208 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.54 -23.23 66.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.18 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.1 t -134.5 53.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.3 m -167.24 70.21 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 1.02 8.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.6 OUTLIER 67.65 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 108.256 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 502' ' ' ASN . 13.6 mt 61.58 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.6 m-70 69.36 -58.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.4 OUTLIER -75.71 -20.48 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.502 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 148.94 -156.97 27.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -129.44 144.52 51.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 110.234 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.72 129.68 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 1.0 OUTLIER -114.98 133.95 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.41 ' OD1' ' CG ' ' A' ' 490' ' ' ASN . 33.6 t70 -89.01 102.01 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 164.53 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 3.8 mt -83.55 66.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.393 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 6.5 t30 160.9 -39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.375 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -161.87 -170.12 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.429 ' O ' ' CG ' ' A' ' 512' ' ' PHE . 12.4 p90 -122.27 129.71 52.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.72 114.54 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 514' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -70.9 88.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 108.304 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 504' ' ' ARG . 0.7 OUTLIER -51.43 176.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 516' ' ' CYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -96.41 139.48 21.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.382 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.502 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.21 0 O-C-N 124.43 1.753 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.64 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 417' ' ' SER . 12.6 t0 -90.07 78.74 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -54.27 -16.56 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.5 t -85.51 -23.61 27.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.35 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 414' ' ' ASP . 17.2 t -76.84 -32.52 57.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.372 1.045 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -64.23 -69.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -177.78 38.88 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.99 76.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.9 105.23 57.05 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -75.0 -37.21 2.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.412 ' CB ' ' HA3' ' A' ' 427' ' ' GLY . 0.0 OUTLIER -69.93 -3.34 15.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.123 . . . . 0.0 108.226 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 65.42 -100.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -118.5 -32.92 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.487 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -103.18 108.05 19.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 423' ' ' CYS . . . 148.17 165.95 12.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.422 1.076 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.801 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -96.65 137.99 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.767 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -129.43 120.44 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.801 HD12 ' HE3' ' A' ' 428' ' ' LYS . 0.0 OUTLIER -121.93 169.29 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 432' ' ' THR . 5.3 t30 -101.43 130.18 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.447 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -118.63 172.22 7.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.75 121.81 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.5 -44.75 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.365 1.041 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 14.4 m -132.16 174.88 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 415' ' ' GLU . 12.7 p90 -102.71 153.82 19.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.7 tt0 -115.62 147.23 41.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 8.4 t -142.11 129.67 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 24.2 mt-30 -88.28 154.19 20.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.4 m -84.17 164.58 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 1.092 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -150.3 138.84 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.512 ' HG2' ' CD2' ' A' ' 441' ' ' LEU . 2.9 mm100 60.51 -96.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.25 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -144.36 71.51 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.844 ' CE1' HD11 ' A' ' 441' ' ' LEU . 2.5 m-85 -103.37 158.46 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.947 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -105.88 -117.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.884 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.0 157.55 29.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.408 1.068 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -25.1 12.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 30.1 mmm180 -118.05 -6.52 10.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.2 t 96.57 68.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 108.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.925 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.1 pm0 -166.19 27.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.179 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.947 HG22 HG23 ' A' ' 445' ' ' THR . 1.8 mp -131.21 147.02 32.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.68 128.75 43.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.554 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.77 163.3 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.871 ' ND2' HG23 ' A' ' 457' ' ' VAL . 44.3 t-20 -82.69 105.28 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 0.5 OUTLIER -79.47 -18.16 52.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -97.38 19.06 13.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 108.278 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.871 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.6 OUTLIER -90.29 -57.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.625 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -93.51 2.83 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.4 OUTLIER -140.91 52.59 3.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.9 OUTLIER 72.04 21.26 4.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.0 OUTLIER 81.95 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -80.71 -34.36 34.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.6 t70 -80.78 59.01 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 173.07 130.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.8 m -83.41 111.16 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -76.19 141.45 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 467' ' ' CYS . 12.6 mt -140.81 96.42 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.76 120.81 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -111.04 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.567 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.7 OUTLIER -75.79 112.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 53.61 18.33 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 7.1 pt-20 -165.05 159.84 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 459' ' ' ASN . 8.8 p90 -133.08 160.77 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.02 134.66 24.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 1.6 p -117.43 143.73 45.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 477' ' ' ILE . 3.0 mm -96.85 141.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 80.5 m -101.49 147.42 26.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 108.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.02 152.51 42.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 83.23 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 172.86 -31.62 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 21.5 m-85 -121.57 171.13 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 0.82 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -144.91 -177.51 5.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 106.01 -177.56 22.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.62 -19.95 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 485' ' ' VAL . 18.3 m170 -107.55 9.34 29.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 3.3 m 43.37 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -117.49 5.62 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 507' ' ' ASP . 2.9 t -89.15 102.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 1.5 p30 -64.44 90.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 52.63 165.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.4 ' OD2' ' SG ' ' A' ' 494' ' ' CYS . 24.2 t70 -84.35 143.83 29.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -5.52 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.4 ' SG ' ' OD2' ' A' ' 492' ' ' ASP . 1.5 p -118.44 38.32 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.9 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -75.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.92 104.54 18.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 505' ' ' CYS . 18.3 Cg_endo -75.03 -6.19 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER 39.97 57.48 2.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.39 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 502' ' ' ASN . 1.3 pt? -75.58 161.1 29.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.4 m-70 69.39 -59.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.666 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.9 t30 -81.31 -7.49 59.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.04 47.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.26 112.97 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER -76.02 121.37 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.2 mp -98.01 131.26 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.659 ' CG ' HG11 ' A' ' 489' ' ' VAL . 6.4 t0 -86.89 95.95 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -103.06 148.3 25.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 488' ' ' GLU . 1.6 pt -82.02 63.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.01 -35.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -163.64 -161.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 512' ' ' PHE . 2.3 p90 -130.37 145.02 51.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.075 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 513' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.1 OUTLIER -123.23 114.32 20.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.335 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 49.7 t -93.12 69.42 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.229 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.12 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 110.176 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.56 148.63 34.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 108.259 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.499 ' CG2' HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -82.98 147.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.45 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 21.9 t0 -91.79 78.44 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.84 -18.81 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.45 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -82.76 -15.75 50.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 108.279 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -109.79 -10.69 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.939 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.7 mt -73.86 -90.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.458 1.099 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.76 1.05 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.78 89.54 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -111.74 104.5 56.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.14 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.614 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.6 Cg_endo -74.96 -37.79 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.42 1.747 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.0 m -44.45 -24.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 6.7 mt-10 76.01 -70.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -151.95 -44.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.44 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -105.48 100.19 9.78 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.699 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 163.88 169.29 27.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.682 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -102.31 137.79 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 0.717 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.879 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.66 119.11 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.85 169.11 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 20.5 t30 -108.94 134.87 51.03 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -125.99 163.86 22.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.381 1.05 . . . . 0.0 110.348 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.14 123.58 23.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.64 -45.09 3.33 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 432' ' ' THR . 13.4 t -133.22 170.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.614 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -104.6 155.02 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -120.31 143.23 48.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 1.9 t -143.44 126.37 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 430' ' ' ILE . 38.2 mt-30 -79.56 160.31 26.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.34 146.0 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.699 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -105.65 114.6 28.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.524 ' OE1' HD12 ' A' ' 441' ' ' LEU . 0.1 OUTLIER 68.48 -93.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -135.56 77.27 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.594 1.184 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.8 m-85 -102.85 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.055 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.7 t -101.17 -123.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.832 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.46 165.65 39.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.055 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 5.2 mmt180 -113.33 0.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.7 OUTLIER 92.82 68.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 108.369 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.748 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.3 OUTLIER -157.23 17.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 1.055 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.9 mp -127.27 144.12 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 4.4 t0 -93.09 131.8 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.516 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.23 157.29 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.963 ' O ' HG22 ' A' ' 457' ' ' VAL . 51.1 t30 -102.41 88.57 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 10.4 mp0 -55.58 -17.48 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.419 ' HB3' ' OD1' ' A' ' 454' ' ' ASN . 51.2 t -70.35 -6.38 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 108.368 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.963 HG22 ' O ' ' A' ' 454' ' ' ASN . 12.6 m -89.17 -23.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.347 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 28.2 m -118.71 -2.82 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -154.99 60.77 2.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.02 -7.08 18.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.454 1.765 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.933 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.53 22.86 2.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 3.6 pt20 47.9 -147.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 2.8 m120 -102.34 42.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 19.8 m-20 -145.45 42.22 1.26 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 168.18 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.5 m -69.51 108.59 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 146.31 44.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.2 mt -159.6 87.16 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.69 145.14 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -135.02 -172.68 3.11 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.69 120.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.68 24.13 0.14 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.115 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.24 154.35 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 455' ' ' GLU . 13.1 p90 -127.9 158.34 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.702 HE22 ' CD1' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -140.35 147.34 39.69 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.432 1.083 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 466' ' ' THR . 8.3 p -138.99 126.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.702 ' CD1' HE22 ' A' ' 475' ' ' GLN . 4.9 mm -85.53 115.64 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -175.93 3.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 35.9 mtt -87.53 148.83 45.12 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.612 1.195 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.62 3.7 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -145.53 -42.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -104.55 171.19 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.989 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.552 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 1.7 tt0 -155.23 -175.5 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 108.3 -178.12 21.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.614 1.196 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -23.94 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.428 0.722 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.416 ' C ' ' N ' ' A' ' 488' ' ' GLU . 6.3 m-70 -104.65 3.81 32.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.564 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.8 m 49.5 23.67 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 486' ' ' HIS . 0.2 OUTLIER -114.94 7.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.359 1.037 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.3 t -88.51 116.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.603 1.189 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 509' ' ' ILE . 27.8 t-20 -67.11 143.71 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 490' ' ' ASN . 1.6 m -37.55 157.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 170.76 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.38 20.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 4.6 p -107.85 35.94 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.242 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.59 -17.13 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -69.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.47 96.26 39.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.33 10.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.69 74.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 108.203 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 502' ' ' ASN . 70.5 mt -95.23 162.97 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.8 m-70 69.14 -59.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.1 OUTLIER -84.67 -2.77 57.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -173.35 171.14 44.26 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -129.24 114.15 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 110.385 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.6 OUTLIER -74.0 121.24 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 508' ' ' LYS . 0.9 OUTLIER -100.35 131.76 46.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 490' ' ' ASN . 3.3 t0 -95.95 90.17 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' A' ' 506' ' ' LEU . 15.6 mmtt -85.82 153.03 22.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.5 pp -69.81 62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.608 1.192 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.4 t30 170.99 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 179.11 6.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.08 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -105.49 145.0 31.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.11 117.43 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.47 104.36 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.0 OUTLIER -90.84 -150.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 516' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -98.4 148.44 34.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.401 1.737 . . . . 0.0 111.035 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.59 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 417' ' ' SER . 21.1 t0 -91.25 79.64 5.66 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.4 mp0 -52.9 -18.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.2 t -84.19 -21.68 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 414' ' ' ASP . 9.3 t -82.17 -29.71 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -65.33 -70.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -176.25 34.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -127.23 75.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.18 104.2 52.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.488 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.99 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.611 1.848 . . . . 0.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 57.5 m -49.72 -18.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.233 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.488 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.7 mt-10 73.9 -63.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -166.32 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.975 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -88.88 74.68 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.779 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 177.95 171.9 41.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.0 126.82 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.804 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -118.97 122.03 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.22 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.25 169.5 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 432' ' ' THR . 8.4 t30 -102.39 133.72 46.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.492 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -122.99 172.21 8.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.0 122.52 25.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.8 -44.79 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 7.1 m -132.79 173.32 11.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -102.25 152.23 21.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -113.94 144.5 42.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 24.0 t -143.71 124.93 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 430' ' ' ILE . 9.0 mt-30 -85.86 158.29 19.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 6.8 m -82.68 156.1 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.779 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -112.08 100.2 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 8.5 mm100 66.97 -99.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -116.65 69.0 0.29 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.975 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.1 m-85 -101.86 159.38 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.775 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -104.14 -123.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.758 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.51 156.74 23.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -28.65 8.94 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.582 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 48.3 mmm-85 -110.01 -8.95 14.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.1 t 95.84 61.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.708 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -156.31 21.68 0.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.625 1.203 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 445' ' ' THR . 27.8 mm -121.6 148.46 25.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.57 121.87 42.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.88 167.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.64 ' ND2' HG23 ' A' ' 457' ' ' VAL . 54.3 t-20 -102.06 108.61 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.4 pm0 -85.74 -17.84 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.17 . . . . 0.0 110.219 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.5 p -90.35 6.81 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.64 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -75.48 -58.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.635 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.0 OUTLIER -98.06 4.76 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.029 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -139.8 51.4 2.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -74.98 8.96 2.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 462' ' ' GLN . 0.8 OUTLIER 75.1 2.06 3.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.626 ' O ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 34.61 -164.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 77.36 -44.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.9 OUTLIER 152.06 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.208 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.601 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -38.39 147.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.4 m -87.19 115.08 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 116.75 15.97 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 468' ' ' LEU . 4.2 mt -116.16 82.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.203 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 119.39 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -118.12 -174.68 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.428 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -67.36 121.05 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 39.24 28.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 471' ' ' ILE . 3.9 pt-20 -165.18 152.71 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -144.03 157.08 44.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.472 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 1.1 pt20 -143.5 138.22 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.157 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.73 120.28 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 35.6 mm -80.13 138.31 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 67.9 m -101.88 148.33 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 479' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 482' ' ' TYR . 2.7 ptt? -83.73 151.96 62.26 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.22 5.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.491 1.785 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.04 -41.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.401 ' CD1' ' HE3' ' A' ' 479' ' ' MET . 48.6 m-85 -117.92 170.74 8.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.0 OUTLIER -145.25 -179.26 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 483' ' ' GLU . . . 109.94 -165.58 12.37 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.428 1.08 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER -77.2 -36.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 487' ' ' CYS . 0.0 OUTLIER -108.94 13.51 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.637 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 486' ' ' HIS . 0.0 OUTLIER 41.31 49.93 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 108.268 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 13.1 tt0 -118.63 -4.17 10.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -89.21 121.83 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.9 p30 -64.49 91.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 492' ' ' ASP . 66.4 m 50.16 174.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 491' ' ' THR . 1.4 t70 -95.83 149.95 20.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 493' ' ' GLU . 12.4 pm0 -139.18 21.1 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 1.059 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 497' ' ' SER . 0.5 OUTLIER -129.39 30.35 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 108.339 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 495' ' ' ALA . . . . . 0.513 ' HB2' ' OD1' ' A' ' 492' ' ' ASP . . . -74.15 -15.97 61.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 2.6 m -81.92 -67.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.417 ' O ' ' SG ' ' A' ' 494' ' ' CYS . 1.0 OUTLIER -114.56 97.78 47.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.6 Cg_endo -75.02 -3.99 14.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.403 1.739 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 39.61 62.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.343 1.027 . . . . 0.0 108.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.64 ' C ' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -89.01 162.61 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.627 ' CG ' HD22 ' A' ' 500' ' ' LEU . 1.9 m-70 68.63 -59.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.5 m120 -69.61 -7.66 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.491 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 156.13 -162.92 31.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 515' ' ' GLU . 7.0 ttt180 -130.15 142.13 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 0.825 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.16 118.72 34.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 4.7 mp -92.93 131.54 37.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.455 ' HB3' HG21 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -89.0 91.31 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -89.75 164.48 14.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.0 pt -72.61 -23.92 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -85.87 -51.01 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.32 -152.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 53.7 p90 -124.08 143.81 50.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.02 130.25 39.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 31.6 m -90.11 82.15 6.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 504' ' ' ARG . 3.1 pt-20 -53.69 171.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.6 p -97.33 135.67 21.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.267 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.491 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -85.21 151.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 56.3 t0 -92.28 77.7 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -55.85 -17.53 6.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -82.05 -16.92 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.9 t -103.88 -23.51 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -65.0 -79.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -169.53 29.12 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.18 79.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 0.823 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -111.01 104.48 56.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -75.1 -27.03 10.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -73.85 47.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 108.281 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 423' ' ' CYS . 9.6 mm-40 27.24 -107.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -132.17 8.11 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.4 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -137.11 80.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . -179.82 -173.56 44.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -111.32 134.74 52.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.724 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -125.1 110.3 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.777 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.87 169.14 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.3 t30 -107.33 136.3 47.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.403 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.464 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.73 170.83 12.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.449 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.73 123.04 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.71 -44.81 3.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 432' ' ' THR . 9.0 t -133.34 172.9 12.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.494 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 10.6 p90 -105.27 152.52 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.6 tt0 -111.85 145.21 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 6.0 t -141.82 125.56 16.96 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.168 . . . . 0.0 108.396 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.615 ' HG3' HD11 ' A' ' 430' ' ' ILE . 35.8 mt-30 -84.37 153.89 23.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 6.1 m -83.52 148.13 27.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -106.43 104.15 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.14 -93.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.21 75.0 0.42 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.968 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.8 t -103.35 -122.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.088 . . . . 0.0 110.358 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.93 161.5 32.37 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.33 5.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 29.3 mmt-85 -110.64 -8.63 14.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.8 t 98.43 65.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.955 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.8 OUTLIER -156.84 19.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.968 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -123.55 145.9 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.22 122.18 39.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.0 OUTLIER -99.12 166.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 457' ' ' VAL . 58.5 t-20 -102.18 98.94 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.512 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.6 pm0 -73.82 -2.69 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 2.5 t -89.24 3.28 52.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 454' ' ' ASN . 5.1 m -77.85 -31.06 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 14.6 m -106.29 -10.06 16.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.544 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.3 OUTLIER -138.03 58.04 14.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -75.01 -6.27 17.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.49 22.79 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.253 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.66 ' O ' ' ND2' ' A' ' 463' ' ' ASN . 0.8 OUTLIER -46.62 127.47 9.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.676 HD21 ' HB3' ' A' ' 488' ' ' GLU . 6.9 p30 148.34 -20.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 3.2 m-20 152.14 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -70.98 160.56 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.1 m -105.27 110.12 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.35 150.5 18.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.4 mt -160.99 86.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.45 132.81 43.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.459 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -121.38 -177.03 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.573 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.29 126.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.94 27.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -165.72 166.56 17.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 0.715 . . . . 0.0 110.318 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.408 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.0 OUTLIER -141.67 155.58 45.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 466' ' ' THR . 16.5 p -148.79 126.53 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 39.5 mm -81.25 110.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.38 166.64 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 5.0 mmt -94.77 155.29 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.88 3.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -177.52 -34.7 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -94.02 171.59 8.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.459 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -154.45 179.52 8.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.528 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 111.21 179.91 20.07 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.647 ' CG1' ' CE1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -79.74 -25.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.25 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.647 ' CE1' ' CG1' ' A' ' 485' ' ' VAL . 12.4 m-70 -107.98 -4.23 18.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.556 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 59.4 m 71.64 6.01 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.676 ' HB3' HD21 ' A' ' 463' ' ' ASN . 1.2 pp20? -92.0 17.09 9.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.218 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.528 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.5 t -110.38 105.27 18.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.441 ' CB ' ' HA ' ' A' ' 509' ' ' ILE . 22.9 t-20 -66.23 142.56 57.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 4.2 m -39.43 154.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 148.64 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.34 26.73 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 498' ' ' PRO . 32.1 t -84.96 0.87 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.46 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 -54.61 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.401 1.063 . . . . 0.0 109.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 105.68 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.405 ' HA ' ' SG ' ' A' ' 494' ' ' CYS . 18.5 Cg_endo -74.94 -24.42 12.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.399 1.736 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.2 m 48.42 75.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.346 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -111.19 118.2 35.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.554 ' HB3' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.19 -45.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.99 -17.0 64.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.486 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 158.31 -160.31 30.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.94 140.59 52.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 0.774 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.98 118.2 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 108.265 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 5.1 mp -99.16 151.6 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.35 89.59 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.74 156.85 23.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -73.45 71.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.9 m-20 156.42 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -159.13 -173.92 4.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 20.1 p90 -114.55 144.32 43.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.395 1.059 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.83 108.85 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.97 82.41 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.02 167.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.2 138.07 20.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.262 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.486 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.89 153.58 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 417' ' ' SER . 10.0 t0 -90.59 82.46 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -50.76 -20.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.4 t -81.85 -22.58 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 414' ' ' ASP . 6.1 t -86.97 -25.92 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -68.41 -81.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.19 25.52 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.43 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.377 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.414 ' ND2' ' SG ' ' A' ' 416' ' ' CYS . 27.9 t-20 -116.61 106.82 47.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.494 ' CG ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.04 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 3.4 m -46.85 -22.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.8 mt-10 66.81 -90.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -128.26 -39.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.594 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.832 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -109.69 108.74 19.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.16 153.65 6.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -85.89 136.11 33.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.778 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -128.88 121.86 29.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.57 168.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 431' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -105.6 129.76 53.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -120.04 171.92 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.133 . . . . 0.0 110.494 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.42 122.17 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.94 -44.46 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.405 ' O ' ' OG1' ' A' ' 432' ' ' THR . 12.6 t -132.3 174.59 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.4 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 22.4 p90 -108.0 147.8 30.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.0 tt0 -107.42 145.62 32.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.479 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 27.0 t -142.87 127.75 18.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 108.197 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.6 ' HG3' HD11 ' A' ' 430' ' ' ILE . 25.1 mt-30 -89.39 150.0 22.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.238 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.7 m -84.73 171.16 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -154.08 128.56 9.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.6 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -148.58 77.67 0.24 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.395 1.06 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.832 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.4 m-85 -104.11 161.77 13.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.943 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -102.56 -120.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.836 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.75 161.95 34.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 447' ' ' PRO . . . . . 0.487 ' CD ' HD13 ' A' ' 451' ' ' ILE . 18.1 Cg_endo -75.07 -32.3 5.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -112.98 -7.33 13.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.629 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 99.05 69.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.2 pm0 -162.48 23.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.943 HG22 HG23 ' A' ' 445' ' ' THR . 2.2 mp -128.79 146.52 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -95.66 128.79 42.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.566 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.72 158.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.765 ' ND2' HG23 ' A' ' 457' ' ' VAL . 41.6 t-20 -79.16 106.0 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -79.3 -19.55 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.5 OUTLIER -97.82 23.22 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 108.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.765 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -93.98 -57.17 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.615 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -94.17 4.13 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.4 OUTLIER -140.87 50.76 2.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.0 1.51 7.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.069 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.54 21.92 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 108.344 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.4 tt0 87.83 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.61 -27.22 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.5 OUTLIER -92.77 62.26 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 170.99 137.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 32.9 m -76.92 154.56 33.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.183 . . . . 0.0 110.443 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.1 OUTLIER -124.95 128.21 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 467' ' ' CYS . 31.4 mt -126.08 102.81 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.11 121.2 22.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -116.6 -172.89 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.83 117.05 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.63 23.34 0.33 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.5 154.81 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.766 . . . . 0.0 110.322 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.663 ' CE2' ' O ' ' A' ' 459' ' ' ASN . 0.7 OUTLIER -141.14 162.0 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -140.14 133.16 29.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 466' ' ' THR . 18.3 p -113.14 136.9 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 41.7 mm -93.53 119.43 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 7.4 m -101.73 164.12 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.287 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.7 mtp -84.69 152.83 60.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.53 5.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -158.72 -40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.414 ' HE2' HG23 ' A' ' 509' ' ' ILE . 40.5 m-85 -116.87 171.41 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -152.37 -176.11 5.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 110.6 -176.45 18.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -77.42 -22.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.448 ' CE1' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.04 7.33 29.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.561 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 58.2 m 45.74 31.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.38 10.29 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.365 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.9 t -89.35 109.93 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 490' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.22 131.6 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.432 HG23 ' OE2' ' A' ' 493' ' ' GLU . 8.8 t -40.36 159.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.412 ' HA ' ' OD1' ' A' ' 507' ' ' ASP . 0.4 OUTLIER -78.07 151.75 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.1 mp0 -141.01 13.2 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.7 t -84.89 -25.25 28.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.99 -14.84 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -56.61 2.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.07 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.597 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -119.62 83.75 28.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.561 1.821 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.9 OUTLIER -64.18 94.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.276 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 500' ' ' LEU . 0.2 OUTLIER -126.77 154.13 44.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 517' ' ' PRO . 2.9 m-70 69.53 -56.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.646 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 22.2 m120 -84.05 -20.78 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.402 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -168.05 -167.81 29.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.17 139.6 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 0.705 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.53 109.51 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.605 HD22 ' CD ' ' A' ' 515' ' ' GLU . 6.2 tp -103.18 131.68 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.352 1.033 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 0.6 OUTLIER -102.08 88.29 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -86.29 174.51 9.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 1.1 mp -91.89 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 1.0 OUTLIER 159.26 -44.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.33 -177.52 5.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.597 ' CD2' ' OG ' ' A' ' 497' ' ' SER . 16.1 p90 -107.16 145.31 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -123.5 134.11 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.227 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 56.0 m -86.1 93.6 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.233 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.605 ' CD ' HD22 ' A' ' 506' ' ' LEU . 0.6 OUTLIER -70.72 -161.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.52 146.64 31.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.503 ' CB ' ' O ' ' A' ' 501' ' ' HIS . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.4 HG12 ' OE2' ' A' ' 415' ' ' GLU . 0.4 OUTLIER -89.78 155.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 417' ' ' SER . 18.5 t0 -85.79 78.58 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -53.97 -17.28 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.7 t -85.08 -18.9 32.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.4 t -87.35 -28.19 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -64.81 -72.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -174.2 32.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.74 75.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.91 105.86 54.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -74.99 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.508 1.793 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 5.1 m -48.43 -19.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.283 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 72.91 -57.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -162.54 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.977 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -102.35 108.63 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.41 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 148.64 165.39 12.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.424 1.078 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.708 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -93.44 138.66 31.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.713 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -127.43 121.27 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.713 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.12 169.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 431' ' ' ASN . 5.7 t30 -102.29 126.66 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -115.75 170.59 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.43 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.94 121.03 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.08 -45.46 3.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.453 ' HA ' ' OE1' ' A' ' 415' ' ' GLU . 8.7 m -132.47 171.94 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.935 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.2 p90 -98.13 155.77 16.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.8 tt0 -119.91 146.24 45.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 1.4 t -142.08 130.42 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 108.315 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 430' ' ' ILE . 30.4 mt-30 -86.88 158.92 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.5 172.06 12.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.665 ' O ' HD22 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -158.16 119.76 3.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 70.12 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.06 73.29 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.977 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -104.38 160.84 14.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.6 t -102.89 -125.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.681 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.11 163.03 38.4 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.416 1.072 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -32.93 4.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.508 ' C ' ' OE2' ' A' ' 450' ' ' GLU . 18.7 mmt-85 -119.66 9.18 11.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 85.69 65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.758 ' O ' HD13 ' A' ' 451' ' ' ILE . 14.3 pm0 -153.77 19.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.566 1.166 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' A' ' 445' ' ' THR . 36.5 mm -127.54 147.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 5.4 t0 -101.17 122.05 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.513 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.7 166.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.685 ' ND2' HG23 ' A' ' 457' ' ' VAL . 45.0 t-20 -101.85 110.19 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.513 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.2 pm0 -84.74 -19.98 31.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.7 p -92.82 14.63 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 108.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.685 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.7 OUTLIER -81.64 -58.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.629 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.1 t -107.89 3.73 24.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.591 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -138.19 55.52 8.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.96 -3.54 14.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.564 1.823 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 78.79 0.41 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 108.268 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.539 ' HG3' ' C ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 34.05 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.09 30.15 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 463' ' ' ASN . 46.6 t0 69.28 17.48 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -81.0 121.67 26.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.1 m -69.85 108.87 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 136.56 57.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.239 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.664 HD12 HE21 ' A' ' 475' ' ' GLN . 3.5 mt -135.18 84.56 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 118.65 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.234 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -120.9 -173.38 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.553 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -63.59 115.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.354 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.76 28.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 471' ' ' ILE . 3.6 pt-20 -164.67 153.19 12.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.413 0.714 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -145.4 160.76 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.664 HE21 HD12 ' A' ' 468' ' ' LEU . 2.8 pp0? -143.53 151.65 40.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 12.8 p -124.83 116.87 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 477' ' ' ILE . 0.8 OUTLIER -75.73 110.34 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.8 178.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.233 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 13.0 mtp -84.02 151.21 60.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 52.73 3.13 Favored 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -138.88 -40.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.42 1.075 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -107.97 169.44 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -152.42 178.12 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.19 -174.55 15.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.591 1.182 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -38.38 77.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.454 ' C ' ' N ' ' A' ' 488' ' ' GLU . 0.0 OUTLIER -109.09 13.75 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.633 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.567 ' O ' ' ND2' ' A' ' 463' ' ' ASN . 40.8 t 43.51 27.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.49 ' HA ' HD22 ' A' ' 463' ' ' ASN . 28.4 tt0 -98.48 0.22 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.385 1.053 . . . . 0.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 483' ' ' GLU . 1.7 m -101.68 125.28 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 491' ' ' THR . 28.2 t-20 -68.12 144.5 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.26 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.98 171.35 9.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 493' ' ' GLU . 1.9 pm0 -148.35 18.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 28.78 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.46 62.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.08 10.73 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.32 103.46 8.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.92 -34.79 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 60.8 9.92 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 108.301 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 500' ' ' LEU . 5.3 tp 46.65 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -13.05 60.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -70.76 -11.1 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -155.37 135.81 4.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.58 114.09 27.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.28 100.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 108.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.96 132.04 41.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.52 86.24 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.77 137.42 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.425 ' O ' ' ND2' ' A' ' 510' ' ' ASN . 1.4 mt -70.55 66.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.5 OUTLIER 163.38 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.17 -170.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.248 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.99 145.2 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.59 108.85 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 6.7 t -79.02 83.82 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 165.11 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.7 p -108.66 117.78 53.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.927 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.733 ' HB2' HD23 ' A' ' 433' ' ' LEU . 10.7 t70 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.543 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.7 p -124.89 160.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 417' ' ' SER . 19.7 t0 -83.5 77.93 9.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.5 mp0 -63.66 -7.79 8.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -17.16 30.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.242 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 0.2 OUTLIER -104.88 -19.32 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 110.013 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.7 OUTLIER -61.04 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.316 1.01 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -162.17 25.23 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.617 1.198 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.31 92.34 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.792 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -112.35 104.09 55.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.545 ' CG ' ' CD ' ' A' ' 450' ' ' GLU . 18.4 Cg_endo -75.03 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 4.8 m -42.31 -24.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.52 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 69.67 -93.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.211 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 0.1 OUTLIER -140.38 50.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.776 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 161.92 98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.6 175.83 24.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.593 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.9 OUTLIER -103.54 136.48 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.76 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.2 OUTLIER -112.85 109.77 19.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.377 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -114.6 169.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.7 t30 -108.7 137.76 46.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -126.89 166.17 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 412' ' ' ASP . 3.7 mt -73.17 123.21 23.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.03 -46.0 3.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 432' ' ' THR . 9.5 m -133.2 174.2 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 0.699 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -100.95 155.19 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -124.27 145.73 49.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.204 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.52 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -144.22 132.5 21.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG3' HD11 ' A' ' 430' ' ' ILE . 46.7 mt-30 -78.59 149.21 33.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 141.62 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.355 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -103.44 119.78 39.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 61.3 -101.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.62 72.44 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.776 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.4 m-85 -100.3 161.0 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.922 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.09 -123.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.621 1.201 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.875 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.69 158.14 20.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.581 1.175 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.43 11.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 28.0 mmm180 -114.61 -4.55 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.6 OUTLIER 90.34 58.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 108.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.911 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -148.99 14.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.922 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.4 mp -117.48 145.36 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.79 128.06 44.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.532 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.61 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.955 ' O ' HG22 ' A' ' 457' ' ' VAL . 60.1 t-20 -100.66 91.19 4.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 474' ' ' PHE . 13.1 mp0 -59.83 -9.54 3.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -83.26 6.98 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 454' ' ' ASN . 16.5 m -100.18 -25.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.456 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 0.4 OUTLIER -117.05 4.01 12.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.913 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -155.42 57.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -75.04 -0.35 9.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.8 OUTLIER 72.97 20.78 3.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.13 . . . . 0.0 108.301 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.3 tt0 84.53 -149.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.21 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -112.02 32.19 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.09 36.67 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.699 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.33 135.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -77.75 109.03 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 142.01 56.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.26 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 64.0 mt -146.94 101.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' C ' ' OD2' ' A' ' 469' ' ' ASP . 4.2 t0 -64.87 120.86 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -112.16 -168.68 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.01 112.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.97 22.71 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.16 154.28 7.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 0.735 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 25.4 p90 -116.95 162.13 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.12 132.37 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.626 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -119.68 132.3 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 108.268 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 477' ' ' ILE . 15.6 mm -99.17 110.68 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 -174.09 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 31.3 mtp -84.52 151.62 59.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -143.97 -42.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -102.07 170.93 7.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.3 OUTLIER -155.08 -176.16 5.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 484' ' ' GLY . . . . . 0.479 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.27 -175.97 22.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.411 1.069 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -78.08 -19.03 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.754 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' A' ' 485' ' ' VAL . 13.8 m-70 -105.74 2.78 28.24 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.501 1.125 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.0 m 49.71 30.21 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 108.351 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.96 10.59 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.761 HG11 ' CG ' ' A' ' 507' ' ' ASP . 9.9 t -89.33 112.86 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 509' ' ' ILE . 6.3 p30 -67.75 91.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.367 1.042 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 57.23 154.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.24 134.07 37.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 25.64 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 17.83 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.234 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.82 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -62.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.4 p -136.38 98.38 11.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -74.91 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 500' ' ' LEU . 22.5 m 38.49 59.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 108.319 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 500' ' ' LEU . 2.6 pt? -57.02 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 61.9 m80 67.92 -107.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -105.11 -21.19 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . -68.46 154.48 53.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.32 137.87 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.783 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 130.85 40.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.501 HD13 ' OE2' ' A' ' 515' ' ' GLU . 1.1 tp -108.07 131.46 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.761 ' CG ' HG11 ' A' ' 489' ' ' VAL . 32.6 t0 -95.0 96.37 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -92.53 145.43 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER -74.63 57.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 176.64 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -163.88 -163.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.223 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -124.31 145.33 49.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.71 123.09 39.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 96.65 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.501 ' OE2' HD13 ' A' ' 506' ' ' LEU . 4.7 pt-20 -89.15 91.39 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 128.91 30.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.1 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.711 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.1 p -104.32 157.76 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 60.5 t0 -90.71 76.43 6.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -58.77 -15.11 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -16.96 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.8 t -108.36 -19.1 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.2 mt -69.85 -81.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.99 24.53 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.422 1.076 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.83 77.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -115.68 105.52 51.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.507 ' HB2' HD12 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -74.97 -34.35 3.92 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 426' ' ' ALA . 83.4 m -60.47 -9.73 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 423' ' ' CYS . 8.2 pt-20 49.0 40.67 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 425' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 424' ' ' GLU . 11.8 m80 77.65 -7.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 423' ' ' CYS . . . -109.69 75.21 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.13 -169.69 32.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -105.42 120.2 40.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.712 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -108.47 114.29 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.411 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.753 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.37 169.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.5 t30 -108.57 138.61 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -126.65 164.21 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.1 mt -71.86 122.86 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.42 -44.65 3.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 432' ' ' THR . 8.2 m -133.1 169.36 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 45.6 p90 -100.33 160.14 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -128.98 141.83 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.4 t -142.27 126.17 17.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.658 ' HG3' HD11 ' A' ' 430' ' ' ILE . 6.9 mt-30 -86.61 158.43 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.4 p -87.52 172.53 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -144.72 153.76 42.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.483 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.7 OUTLIER 47.21 -98.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -139.13 68.68 0.49 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 3.0 m-85 -104.11 160.03 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 445' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -104.06 -114.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.73 158.59 22.23 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 447' ' ' PRO . . . . . 0.438 ' HG2' ' CD ' ' A' ' 448' ' ' ARG . 18.2 Cg_endo -75.0 -27.75 9.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.2 OUTLIER -112.07 -5.78 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.224 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 91.88 60.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.362 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -156.9 21.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 1.001 HG22 HG23 ' A' ' 445' ' ' THR . 1.1 mp -127.73 144.14 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.6 t70 -89.52 137.29 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.533 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -101.11 162.05 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 457' ' ' VAL . 63.4 t-20 -101.53 89.64 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.586 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 12.6 mp0 -60.85 -11.72 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -79.04 2.19 21.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.396 1.06 . . . . 0.0 108.223 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.4 m -96.91 -25.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.22 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 458' ' ' SER . . . . . 0.465 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 58.1 m -116.92 0.82 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -156.31 58.7 1.77 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.95 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.4 m 71.1 22.22 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.348 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 74.37 -169.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -92.31 39.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 27.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -164.48 127.84 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.5 m -69.69 109.2 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 131.98 45.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 108.386 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 468' ' ' LEU . 28.2 mt -137.12 95.81 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 0.6 OUTLIER -64.39 125.86 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.195 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.7 -168.04 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.618 1.198 . . . . 0.0 110.29 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -72.98 118.83 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.0 24.35 0.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -169.88 153.93 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.2 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 18.9 p90 -120.68 162.5 19.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.25 133.42 26.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -121.7 126.7 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 477' ' ' ILE . 12.8 mm -83.19 148.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 478' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 482' ' ' TYR . 40.9 t -102.98 145.26 30.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.85 152.57 53.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.39 5.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.39 -41.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.405 ' O ' ' SG ' ' A' ' 478' ' ' CYS . 20.0 m-85 -120.31 171.36 8.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 0.806 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.619 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.2 OUTLIER -149.1 -178.25 6.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.08 -163.22 12.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.3 -35.66 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.533 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.54 6.31 27.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 38.9 t 45.11 39.01 3.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 0.0 OUTLIER -112.18 -0.42 15.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.19 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -88.9 122.45 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 491' ' ' THR . 5.9 p30 -77.56 92.55 4.07 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 490' ' ' ASN . 12.6 t 51.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.21 161.95 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.6 pm0 -144.83 26.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.3 25.74 10.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.31 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -67.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.069 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.95 90.32 50.56 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.28 21.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.0 OUTLIER 41.77 56.71 3.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 501' ' ' HIS . 6.4 tp -81.16 163.51 23.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 3.3 m170 69.27 -58.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 502' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m-20 -81.47 4.58 20.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . 160.31 -177.76 36.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -129.96 139.56 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.57 125.94 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.4 mp -92.54 132.1 37.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.578 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -80.63 96.74 6.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -106.24 147.15 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.6 pt -76.25 60.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.63 -159.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 6.3 p90 -127.05 132.68 50.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 513' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -110.02 114.9 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 74.4 m -81.95 95.45 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 108.282 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 504' ' ' ARG . 2.8 pt-20 -71.76 -179.42 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.61 141.48 23.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.246 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.415 ' HB2' HD23 ' A' ' 433' ' ' LEU . 19.4 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.99 149.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 26.7 t0 -91.93 77.45 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.35 -18.69 7.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.232 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -81.27 -19.07 43.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.1 t -99.18 -20.03 16.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.6 mt -73.6 -79.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -165.76 26.88 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.29 78.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 0.75 . . . . 0.0 109.331 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -120.88 106.24 39.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.96 -28.39 9.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 50.6 m -50.17 -19.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 423' ' ' CYS . 3.5 mm-40 72.24 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -139.75 -44.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.532 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.229 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.08 163.63 18.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.3 OUTLIER -99.95 128.59 46.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.822 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -112.37 119.71 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.822 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -121.71 169.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 432' ' ' THR . 18.1 t30 -107.55 135.62 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.83 165.15 19.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -72.61 122.74 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.25 -44.29 3.15 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.493 1.12 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 432' ' ' THR . 23.1 t -132.84 169.81 16.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.633 0.843 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 436' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 28.8 p90 -104.74 144.55 31.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 432' ' ' THR . 5.2 tt0 -107.04 144.11 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 16.6 t -143.65 124.83 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.24 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.555 ' HG3' HD11 ' A' ' 430' ' ' ILE . 23.9 mt-30 -82.3 155.87 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.3 p -86.57 156.99 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.35 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 441' ' ' LEU . 0.4 OUTLIER -113.93 136.42 52.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 44.16 -101.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.248 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.46 70.76 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.5 m-85 -100.27 160.81 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.883 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.9 t -102.62 -124.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.871 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.23 157.39 11.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -25.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.4 mmt-85 -110.33 -5.81 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 0.0 110.352 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 88.08 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.751 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -144.93 6.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.883 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.7 OUTLIER -107.12 147.01 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 25.7 t0 -100.8 125.7 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.6 p -97.98 167.98 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 1.02 ' O ' HG22 ' A' ' 457' ' ' VAL . 40.9 t-20 -101.05 90.5 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.51 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.0 pm0 -64.43 -5.32 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 456' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 469' ' ' ASP . 20.6 t -88.62 11.36 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 454' ' ' ASN . 13.0 m -109.81 -22.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 6.6 p -115.56 -7.46 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 474' ' ' PHE . 1.7 m120 -140.3 59.28 12.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.524 ' HA ' ' SG ' ' A' ' 467' ' ' CYS . 18.4 Cg_endo -75.04 -2.73 12.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.72 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.8 t 75.02 20.11 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 5.3 tt0 84.34 -141.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 463' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 462' ' ' GLN . 3.6 p-10 -116.9 -1.62 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 464' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 73.7 m-20 -116.6 54.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.087 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 176.25 120.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 0.9 OUTLIER -66.89 106.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 467' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 49.8 t -63.64 163.04 12.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 468' ' ' LEU . 1.4 mt -170.09 90.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.177 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 469' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -75.71 151.54 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -152.72 -162.61 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.355 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -53.45 118.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 25.1 41.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 471' ' ' ILE . 4.3 pt-20 -169.01 155.02 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 0.709 . . . . 0.0 110.355 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 459' ' ' ASN . 5.9 p90 -135.72 139.75 43.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 468' ' ' LEU . 8.8 pt20 -121.93 144.01 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.379 1.05 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 466' ' ' THR . 13.7 p -127.06 137.55 53.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 477' ' ' ILE . 10.8 mm -103.21 115.55 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -84.64 152.35 59.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 55.1 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.762 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.12 -42.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 58.0 m-85 -109.47 170.48 8.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 483' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.4 tt0 -154.25 -179.95 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.03 -177.8 16.43 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 486' ' ' HIS . 1.2 t -68.71 -34.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.462 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -108.05 -1.56 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.657 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 487' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 57.5 m 60.39 28.29 17.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.102 . . . . 0.0 108.222 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.86 3.33 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 489' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 483' ' ' GLU . 2.0 m -107.88 128.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.719 ' H ' HG23 ' A' ' 509' ' ' ILE . 24.6 t-20 -67.71 144.57 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.24 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -51.7 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -76.34 174.69 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.07 . . . . 0.0 109.194 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.35 43.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 494' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -140.91 46.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.58 -14.85 60.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.26 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 0.0 109.871 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 497' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 53.4 m -101.26 111.35 63.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.949 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 498' ' ' PRO . . . . . 0.455 ' HB2' HD22 ' A' ' 500' ' ' LEU . 18.4 Cg_endo -75.02 -25.83 11.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 498' ' ' PRO . 52.5 t 46.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 498' ' ' PRO . 1.0 OUTLIER -145.37 27.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -131.96 -46.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.619 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -99.69 -19.66 16.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.431 ' HA2' ' HD3' ' A' ' 517' ' ' PRO . . . -176.91 -179.5 47.34 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.411 1.069 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -113.44 118.74 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 0.817 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 505' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 497' ' ' SER . 1.2 m -59.72 106.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.718 HD23 ' HG3' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -98.44 131.99 44.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -93.87 132.66 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.719 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.8 OUTLIER -69.8 64.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 508' ' ' LYS . 0.2 OUTLIER 167.85 -44.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.23 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -151.64 -172.13 4.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.1 OUTLIER -117.54 122.05 42.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -105.96 161.29 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.38 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.38 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.718 ' HG3' HD23 ' A' ' 506' ' ' LEU . 4.5 mm-40 -61.27 -139.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 137.05 21.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.431 ' HD3' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.236 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 412' ' ' ASP . . . . . 0.581 ' HB2' HD23 ' A' ' 433' ' ' LEU . 4.8 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 413' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 418' ' ' LEU . 2.4 p -112.25 152.78 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 414' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.9 t0 -89.53 76.31 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.396 1.06 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 415' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.1 mp0 -55.98 -19.24 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 416' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.0 OUTLIER -79.0 -19.77 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.371 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 44.5 t -99.05 -25.67 14.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 418' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -67.34 -78.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.95 31.69 0.24 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 420' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.73 75.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 0.805 . . . . 0.0 109.241 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 421' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 4.1 t30 -116.52 107.33 47.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 422' ' ' PRO . . . . . 0.609 ' O ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.97 -36.48 2.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 423' ' ' CYS . . . . . 0.638 ' O ' ' C ' ' A' ' 424' ' ' GLU . 85.2 m -65.41 56.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 424' ' ' GLU . . . . . 0.638 ' C ' ' O ' ' A' ' 423' ' ' CYS . 25.0 mt-10 16.36 -96.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -135.68 11.36 3.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 426' ' ' ALA . . . . . 0.953 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -139.44 105.02 5.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 427' ' ' GLY . . . . . 0.864 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.64 -175.97 33.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 428' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -109.9 121.95 46.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 429' ' ' CYS . . . . . 0.679 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -109.46 109.5 20.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 430' ' ' ILE . . . . . 0.854 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -110.67 169.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 431' ' ' ASN . . . . . 0.444 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.8 t30 -108.83 139.88 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 432' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.72 170.49 12.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 433' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.8 mt -76.28 122.38 24.31 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 434' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 412' ' ' ASP . . . 83.2 -44.87 3.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.2 m -132.49 172.51 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -103.6 155.4 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 437' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 430' ' ' ILE . 5.9 tt0 -122.02 146.75 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 438' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 47.9 t -142.01 124.55 15.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 439' ' ' GLN . . . . . 0.854 ' HG3' HD11 ' A' ' 430' ' ' ILE . 10.5 mt-30 -81.94 159.94 23.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 440' ' ' CYS . . . . . 0.455 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.2 m -82.0 157.77 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.35 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 441' ' ' LEU . . . . . 0.864 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.3 OUTLIER -111.63 96.83 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 442' ' ' GLN . . . . . 0.478 ' OE1' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 69.21 -92.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.227 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -123.71 71.21 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 444' ' ' TYR . . . . . 0.953 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -103.87 160.97 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 0.828 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 445' ' ' THR . . . . . 0.921 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.97 -121.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 446' ' ' GLY . . . . . 0.861 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.65 156.89 17.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.27 10.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 448' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 14.0 mmt180 -110.63 -9.72 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 449' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 95.48 62.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 450' ' ' GLU . . . . . 0.966 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -157.37 22.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 451' ' ' ILE . . . . . 0.966 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.6 mp -124.01 145.33 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 452' ' ' ASP . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.42 123.84 40.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 453' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.4 OUTLIER -98.87 160.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 454' ' ' ASN . . . . . 0.805 ' O ' HG22 ' A' ' 457' ' ' VAL . 57.9 t-20 -97.45 89.65 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 455' ' ' GLU . . . . . 0.537 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 0.8 OUTLIER -59.47 -14.84 14.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -2.17 28.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 457' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 454' ' ' ASN . 31.2 m -75.62 -26.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 67.1 m -119.66 -0.54 10.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 459' ' ' ASN . . . . . 0.607 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 1.0 OUTLIER -150.95 58.33 2.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 460' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.841 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 461' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 7.3 m 70.98 20.21 5.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 462' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 82.85 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.75 -27.0 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -9.99 47.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 465' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -123.18 124.49 43.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.3 m -73.57 109.71 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 148.88 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 468' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 468' ' ' LEU . 7.0 mt -154.73 79.53 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.01 145.61 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 470' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -150.94 -165.44 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 471' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -52.52 115.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 472' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 26.39 40.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 473' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -170.54 154.41 4.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 474' ' ' PHE . . . . . 0.607 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -138.39 159.59 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 475' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 9.5 pt20 -136.51 151.84 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 476' ' ' CYS . . . . . 0.898 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 1.7 p -130.18 113.36 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 477' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 5.7 mt -67.76 162.55 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 478' ' ' CYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 1.9 t -120.72 151.35 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.1 mmt -99.63 150.27 36.65 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.66 5.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.54 -41.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.152 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 482' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 40.1 m-85 -129.2 170.38 13.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.34 -179.85 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 121.71 -174.87 16.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 485' ' ' VAL . . . . . 0.574 ' CG1' ' CE1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -70.0 -32.02 49.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 486' ' ' HIS . . . . . 0.574 ' CE1' ' CG1' ' A' ' 485' ' ' VAL . 11.9 m-70 -108.23 -9.18 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.71 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 84.4 m 65.24 36.58 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' OE1' ' A' ' 462' ' ' GLN . 5.7 tp10 -112.64 -3.83 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.8 m -96.62 125.0 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 490' ' ' ASN . . . . . 0.67 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.0 OUTLIER -62.67 147.13 50.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 491' ' ' THR . . . . . 0.472 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.55 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 492' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 495' ' ' ALA . 25.4 t0 -69.09 162.34 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.393 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 493' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -133.13 22.31 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.19 45.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 108.278 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 495' ' ' ALA . . . . . 0.437 ' N ' ' OD2' ' A' ' 492' ' ' ASP . . . -68.73 -17.64 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -55.47 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.41 99.35 40.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.31 11.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 499' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 503' ' ' GLY . 1.0 OUTLIER 70.06 30.77 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.377 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 500' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 500' ' ' LEU . 0.2 OUTLIER -50.67 125.09 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 501' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.38 -45.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.636 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -20.18 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 503' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 151.13 -151.84 23.75 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 515' ' ' GLU . 5.7 ttp180 -127.2 125.36 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 118.2 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 506' ' ' LEU . . . . . 0.651 HD23 ' HD3' ' A' ' 508' ' ' LYS . 4.9 tp -98.97 141.42 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 507' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.9 OUTLIER -103.23 89.28 3.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 508' ' ' LYS . . . . . 0.651 ' HD3' HD23 ' A' ' 506' ' ' LEU . 1.8 mmmt -86.3 165.48 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 509' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -87.96 69.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 510' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 2.6 m-20 158.48 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 512' ' ' PHE . . . . . 0.47 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 1.4 p90 -116.56 144.05 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.1 108.28 13.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 34.4 t -69.48 80.27 0.4 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 515' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 504' ' ' ARG . 59.7 mm-40 -44.99 168.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.18 133.2 21.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 517' ' ' PRO . . . . . 0.478 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 432' ' ' THR . 9.4 t0 -158.85 130.63 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.476 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.1 p -112.43 160.48 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.453 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 15.1 t0 -93.12 77.71 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.9 mp0 -57.92 -15.72 9.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.453 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -85.88 -15.53 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 1.0 OUTLIER -110.22 -9.25 14.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -73.39 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -148.11 16.66 1.35 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.56 90.86 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 103.24 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.569 1.168 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.618 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.1 Cg_endo -75.01 -40.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 6.1 m -43.96 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.519 ' N ' ' C ' ' A' ' 422' ' ' PRO . 7.4 mt-10 68.61 -106.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.624 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 7.5 m80 -131.64 46.4 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 1.036 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 168.08 90.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 162.13 172.47 29.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -103.14 137.1 41.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.89 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -119.54 117.43 28.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.334 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.89 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.73 168.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.5 t30 -108.17 134.72 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.21 163.31 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.57 122.57 20.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.9 -44.65 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.605 1.191 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 432' ' ' THR . 15.1 m -132.89 169.3 16.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.618 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 5.7 p90 -102.98 149.69 24.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -114.58 142.92 45.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.0 t -143.88 127.52 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 430' ' ' ILE . 45.6 mt-30 -80.97 160.5 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 444' ' ' TYR . 0.1 OUTLIER -93.7 155.3 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.461 HD13 ' OE1' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.06 106.48 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.461 ' OE1' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 68.68 -93.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.38 74.65 0.43 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 1.036 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.3 m-85 -103.03 160.97 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.759 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.3 t -101.93 -126.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.692 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.32 163.77 38.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.77 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.3 OUTLIER -118.92 6.88 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 87.61 62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 108.263 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 451' ' ' ILE . 17.9 pm0 -149.39 15.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.759 ' O ' ' N ' ' A' ' 445' ' ' THR . 33.3 mm -122.91 147.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 6.4 t0 -101.42 121.98 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.499 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.99 165.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.6 t-20 -101.66 92.23 4.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.497 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -64.14 -7.56 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 8.36 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.3 m -100.17 -26.27 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -4.61 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.614 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -144.28 56.55 4.18 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.95 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.679 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.66 20.87 2.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.5 tt0 86.8 -145.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.433 ' O ' ' ND2' ' A' ' 463' ' ' ASN . 2.9 p-10 -115.27 41.54 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.404 ' OD1' ' OE1' ' A' ' 488' ' ' GLU . 0.4 OUTLIER -151.19 38.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.679 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.02 134.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.534 ' CG2' ' O ' ' A' ' 466' ' ' THR . 0.5 OUTLIER -78.47 110.14 13.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 134.35 47.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.342 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.8 mt -134.09 95.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 469' ' ' ASP . . . . . 0.404 ' CG ' ' HA ' ' A' ' 454' ' ' ASN . 48.9 t0 -65.58 125.43 25.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -124.69 -172.71 2.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.66 114.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.59 27.29 0.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.62 158.25 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.614 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -142.24 160.55 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.475 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -141.16 134.64 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.645 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -114.98 121.69 43.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 477' ' ' ILE . 19.6 mm -92.06 115.67 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -173.35 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 58.7 mtp -83.19 152.25 64.57 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 55.48 3.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.7 -43.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 28.1 m-85 -112.72 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.0 tt0 -158.14 -178.33 7.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.149 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.71 -171.4 13.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.501 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -70.41 -34.44 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.501 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.83 6.59 27.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 52.1 m 44.2 47.25 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 4.3 tp10 -127.58 -1.33 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.94 117.19 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.659 ' O ' HG22 ' A' ' 491' ' ' THR . 5.2 p30 -71.33 90.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 490' ' ' ASN . 8.8 t 48.53 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -95.8 159.77 14.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 109.238 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.7 pm0 -146.2 22.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.5 p -95.34 12.86 27.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.33 -14.3 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 44.5 m -103.93 24.96 10.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 1.3 p -166.5 90.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 500' ' ' LEU . 17.9 Cg_endo -75.01 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.44 ' CB ' ' HA3' ' A' ' 503' ' ' GLY . 19.9 m 77.52 -48.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 500' ' ' LEU . 5.2 tp 69.66 170.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 29.2 m170 67.39 -110.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.486 ' O ' ' CD ' ' A' ' 517' ' ' PRO . 7.0 m-20 -106.02 -20.04 13.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 502' ' ' ASN . . . -32.99 111.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.03 115.83 26.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 7.3 p -77.85 141.75 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 108.21 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.658 HD23 ' CE ' ' A' ' 508' ' ' LYS . 1.3 tp -103.79 132.87 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.456 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -81.81 100.57 9.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.658 ' CE ' HD23 ' A' ' 506' ' ' LEU . 16.1 mmtt -111.4 154.13 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 3.9 pt -81.69 63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.372 1.045 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.84 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.37 -165.32 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 2.4 p90 -116.5 144.69 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 513' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -115.41 109.52 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.15 97.55 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 108.353 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.29 171.73 7.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 32.5 t -111.11 116.13 51.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 108.245 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.486 ' CD ' ' O ' ' A' ' 502' ' ' ASN . 18.2 Cg_endo -75.05 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.658 ' HA ' HG22 ' A' ' 521' ' ' THR . 1.2 m -168.28 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -41.98 -31.1 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -95.95 -64.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.658 HG22 ' HA ' ' A' ' 518' ' ' THR . 0.7 OUTLIER -47.57 139.77 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.633 1.208 . . . . 0.0 110.478 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -121.82 38.76 2.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.15 -79.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.605 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.55 -48.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.97 97.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.366 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 413' ' ' VAL . 13.0 t70 -141.23 175.05 9.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.472 ' N ' ' OD2' ' A' ' 412' ' ' ASP . 0.3 OUTLIER -82.14 145.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 30.3 t0 -90.27 81.05 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.706 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -54.71 -15.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.448 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -86.08 -21.17 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.241 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 414' ' ' ASP . 2.5 t -96.39 -15.46 21.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -73.03 -90.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -153.85 22.57 0.7 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.8 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -114.75 105.5 53.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.508 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -36.05 2.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.7 m -43.78 -23.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 108.294 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.485 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.2 mm-40 69.5 -99.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.596 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 8.0 m80 -136.21 44.26 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.652 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.951 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 169.47 97.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 157.67 174.39 27.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.795 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -104.87 138.78 40.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.356 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.835 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.95 119.78 32.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 108.211 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.835 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.05 169.68 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.413 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 42.6 t30 -108.14 135.12 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -127.41 165.14 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 123.71 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.48 -46.52 3.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.0 m -133.03 173.38 11.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 17.9 p90 -104.61 162.16 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.2 tt0 -125.01 145.29 49.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.2 t -142.41 130.19 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.483 ' HG3' HD11 ' A' ' 430' ' ' ILE . 50.4 mt-30 -82.34 152.87 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 4.1 m -83.77 155.2 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -110.76 98.95 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.403 ' HB2' ' HA3' ' A' ' 472' ' ' GLY . 6.7 mm100 65.49 -100.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -113.08 69.46 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.951 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.0 OUTLIER -101.94 159.5 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.969 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.6 t -103.91 -123.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.439 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.713 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.59 160.37 35.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.594 1.183 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -30.62 7.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -116.72 -3.69 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.3 t 97.01 68.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.395 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.725 ' O ' HD13 ' A' ' 451' ' ' ILE . 3.0 pm0 -161.42 23.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.794 ' O ' ' N ' ' A' ' 445' ' ' THR . 42.2 mm -128.11 149.06 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.7 t0 -100.47 122.76 43.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -99.67 170.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 44.8 t-20 -101.73 104.89 15.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -83.63 -12.57 55.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.92 1.23 57.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 108.361 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.658 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -72.6 -60.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.658 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -93.3 3.09 56.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.655 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.8 OUTLIER -141.08 51.49 2.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.655 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.95 1.02 8.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 1.1 m 72.72 19.13 4.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 2.1 tt0 86.06 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.488 ' ND2' ' OD1' ' A' ' 464' ' ' ASP . 5.1 p-10 -99.81 -26.12 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.488 ' OD1' ' ND2' ' A' ' 463' ' ' ASN . 0.6 OUTLIER -84.62 50.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.54 125.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 16.0 m -79.21 107.88 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 110.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 133.23 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.4 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.509 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 1.6 mt -128.12 71.43 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.05 120.09 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -131.93 -176.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -54.36 118.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 33.71 38.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.86 154.51 11.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.508 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.81 160.3 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 3.2 mm100 -135.13 167.17 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.827 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 13.5 p -154.86 86.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 477' ' ' ILE . 3.1 mm -70.79 114.08 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 175.78 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 16.8 mtp -83.31 151.71 63.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.8 3.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -146.54 -43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 490' ' ' ASN . 60.0 m-85 -108.58 170.53 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 0.814 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.32 179.29 9.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.31 -175.14 16.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.564 1.165 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.498 HG13 ' ND1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -67.79 -33.66 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.629 0.84 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.498 ' ND1' HG13 ' A' ' 485' ' ' VAL . 4.9 m-70 -108.02 -5.2 17.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.567 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.58 40.99 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.464 ' HG3' HE22 ' A' ' 462' ' ' GLN . 2.9 tt0 -119.18 -2.86 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.412 HG23 ' OD1' ' A' ' 507' ' ' ASP . 1.7 m -97.33 124.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.71 ' H ' HG22 ' A' ' 509' ' ' ILE . 28.8 t-20 -66.06 145.59 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.8 t -40.67 161.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -177.21 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.453 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.3 OUTLIER -158.08 25.34 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.46 41.79 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 108.342 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.09 61.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 496' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 497' ' ' SER . 1.5 m -125.06 51.55 1.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 1.084 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 496' ' ' SER . 0.3 OUTLIER 159.62 70.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.28 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 23.9 p -47.32 103.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.957 ' C ' HD23 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -141.64 22.62 2.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.434 ' ND1' ' CD2' ' A' ' 500' ' ' LEU . 15.3 m80 -119.25 -53.65 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -12.87 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -167.16 171.98 42.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.591 1.182 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -116.26 113.01 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.7 OUTLIER -61.61 113.34 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.386 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.426 HD23 ' HD3' ' A' ' 508' ' ' LYS . 0.7 OUTLIER -100.17 131.44 46.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER -90.07 95.16 10.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.426 ' HD3' HD23 ' A' ' 506' ' ' LEU . 2.7 mmmt -91.5 156.67 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.71 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.0 OUTLIER -77.61 56.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.19 -56.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -145.24 -163.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.453 ' HB3' ' CG ' ' A' ' 493' ' ' GLU . 12.2 p90 -121.5 139.14 53.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.97 108.86 9.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 4.6 t -77.6 105.88 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -163.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 2.0 t -98.42 140.18 21.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.288 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.368 1.72 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 9.7 t -165.92 -41.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -70.5 -38.05 69.06 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 521' ' ' THR . 0.2 OUTLIER -55.01 -53.75 51.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 111.011 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 520' ' ' PHE . 5.9 t -95.75 158.91 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -55.06 -70.1 1.06 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 30.0 t-80 -156.52 72.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 0.805 . . . . 0.0 109.503 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 6.7 mt -134.18 70.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.0 t -175.61 -71.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.403 1.065 . . . . 0.0 108.342 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.916 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.9 t0 -154.69 125.01 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -103.08 156.05 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.18 77.06 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.5 mp0 -54.45 -20.95 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.572 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.9 OUTLIER -77.77 -20.34 53.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 108.346 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.448 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 47.2 t -96.86 -27.99 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -65.67 -78.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.78 30.81 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.37 81.04 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 424' ' ' GLU . 6.8 t30 -120.19 106.77 40.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.49 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -74.94 -30.96 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 98.7 m -48.83 -19.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.411 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.5 mm-40 69.15 -100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 8.4 p-80 -132.17 37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.959 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -178.09 94.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 1.187 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.934 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.96 171.94 22.9 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -104.17 127.31 51.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 0.715 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.705 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -109.04 111.82 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.415 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.781 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -112.96 170.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 432' ' ' THR . 32.7 t-20 -108.24 136.52 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.69 163.85 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -70.79 122.84 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.26 -44.96 3.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 432' ' ' THR . 32.1 t -132.5 169.11 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.038 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.572 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 2.8 p90 -105.09 144.53 31.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.5 tt0 -107.77 144.77 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 11.8 t -143.52 125.52 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 430' ' ' ILE . 27.2 mt-30 -82.69 156.35 23.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.5 p -87.01 155.38 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 108.378 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.934 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -116.7 134.1 55.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.629 ' OE1' HD12 ' A' ' 441' ' ' LEU . 1.1 mt-30 52.15 -98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -130.75 73.67 0.46 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.959 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -102.25 162.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.888 ' CG2' HG22 ' A' ' 451' ' ' ILE . 3.4 t -101.3 -124.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.477 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.04 157.58 11.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -22.57 14.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.434 1.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 17.8 mmt-85 -112.6 -6.23 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 88.1 56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.723 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.44 6.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.888 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.6 OUTLIER -106.04 147.34 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.05 120.99 40.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -98.54 169.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.537 ' N ' HG22 ' A' ' 453' ' ' VAL . 41.6 t-20 -100.87 101.68 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.561 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.3 pm0 -82.41 -10.5 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.3 OUTLIER -97.69 13.05 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -85.51 -59.19 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.648 ' N ' HG12 ' A' ' 457' ' ' VAL . 3.4 m -93.58 7.41 44.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.707 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.6 OUTLIER -142.32 48.33 1.07 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.3 Cg_endo -75.01 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 96.0 m 72.11 21.25 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.0 OUTLIER 80.47 -176.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.1 m120 -67.68 -43.97 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 2.8 t70 -70.34 60.92 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 164.29 113.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -75.75 107.26 7.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.488 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.2 OUTLIER -68.43 147.33 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 1.045 . . . . 0.0 108.269 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 45.4 mt -138.01 90.16 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.66 120.75 13.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.227 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.2 OUTLIER -124.07 -178.84 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -56.54 120.28 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 34.34 40.96 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.485 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.24 167.09 18.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 0.82 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.561 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.5 OUTLIER -141.13 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.513 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 1.0 OUTLIER -133.31 176.19 8.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.467 ' HA ' ' O ' ' A' ' 466' ' ' THR . 16.9 p -178.18 106.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 108.245 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.449 ' HA ' HD13 ' A' ' 477' ' ' ILE . 7.4 mm -69.86 159.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 478' ' ' CYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -111.53 155.64 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.207 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 10.5 mtt -98.0 148.64 34.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -179.53 -35.56 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -112.6 171.01 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.77 -177.94 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.31 -177.72 23.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.48 -20.68 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 485' ' ' VAL . 4.4 m-70 -104.58 8.74 35.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 465' ' ' ALA . 63.0 m 42.69 31.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.577 ' OE2' HD13 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -125.39 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.4 t -89.25 102.68 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.204 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 491' ' ' THR . 3.0 p30 -64.13 90.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER 51.95 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 491' ' ' THR . 5.1 p-10 -78.08 -171.98 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 512' ' ' PHE . 2.2 mp0 -156.57 38.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.41 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -166.78 49.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.22 62.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.7 m -108.62 23.99 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 1.8 m -140.96 87.5 10.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.5 Cg_endo -75.07 -13.17 21.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 12.3 m 70.86 -54.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.452 ' HA ' HD22 ' A' ' 500' ' ' LEU . 0.2 OUTLIER 79.4 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.376 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -69.54 -4.88 20.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -73.0 -13.79 61.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.442 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 155.75 -165.83 32.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.476 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -126.38 142.6 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 4.1 m -87.25 122.04 30.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.31 131.2 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 3.5 t0 -93.68 90.44 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -94.37 147.24 23.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 509' ' ' ILE . 3.0 mp -80.36 53.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.63 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.13 -167.61 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.0 OUTLIER -118.89 145.04 46.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.36 116.3 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 514' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 512' ' ' PHE . 7.6 t -87.93 73.36 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.317 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.476 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -44.95 170.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.382 1.051 . . . . 0.0 110.237 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.75 140.01 21.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 108.265 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 520' ' ' PHE . 18.0 Cg_endo -75.03 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.43 1.752 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 520' ' ' PHE . 3.2 t -132.86 -43.71 0.89 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 518' ' ' THR . . . -37.01 -31.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.484 ' CD2' ' HG2' ' A' ' 517' ' ' PRO . 0.4 OUTLIER -43.05 -66.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 -6.34 42.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 110.48 -73.28 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -134.61 68.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.625 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 174.41 169.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.3 t -131.54 110.22 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 108.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.472 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.8 t70 -134.84 179.34 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.61 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -91.68 78.51 5.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.605 1.191 . . . . 0.0 109.275 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -54.72 -16.78 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -83.07 -20.83 34.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.4 t -97.82 -18.98 18.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -72.16 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.83 24.05 0.41 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.05 80.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.422 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.2 t30 -118.36 105.7 45.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.522 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.96 -41.47 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.0 m -46.65 -22.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 108.282 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 9.1 mt-10 77.39 -71.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.415 ' CG ' ' O ' ' A' ' 424' ' ' GLU . 18.7 m80 -155.32 -42.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.518 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.872 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -93.94 81.96 4.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 175.46 176.63 43.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.569 1.168 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.86 121.17 44.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.756 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.25 115.1 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.768 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -116.6 169.85 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.2 t30 -107.25 137.15 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.57 167.98 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.2 mt -74.02 124.18 25.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.96 3.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.9 m -132.83 172.66 12.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.541 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 15.3 p90 -106.0 144.95 32.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -108.24 142.85 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 22.9 t -142.8 124.3 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.589 ' HG3' HD11 ' A' ' 430' ' ' ILE . 15.9 mt-30 -82.1 155.61 24.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.437 1.086 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 155.88 19.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.482 HD13 ' OE1' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.42 127.27 53.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.482 ' OE1' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 42.42 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 443' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 441' ' ' LEU . . . -120.97 73.8 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.872 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.2 m-85 -102.67 161.11 14.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.986 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.6 -122.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.793 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 78.96 155.74 9.21 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 447' ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -23.1 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 42.9 mmm-85 -114.81 -2.24 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 85.87 61.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -154.33 21.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.986 HG22 ' CG2' ' A' ' 445' ' ' THR . 2.8 mp -125.66 144.68 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.45 123.16 40.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.9 OUTLIER -99.49 160.93 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.831 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.2 t-20 -101.09 91.5 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.529 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.7 pm0 -62.72 -12.01 21.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -0.48 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 108.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 454' ' ' ASN . 29.1 m -78.74 -30.47 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 -6.62 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.527 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -146.3 58.98 5.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.09 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 92.3 m 72.15 20.14 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.301 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 462' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 78.19 -157.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 110.239 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.03 -34.47 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -25.82 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -112.49 123.15 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 15.6 m -69.87 110.44 4.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 147.76 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 468' ' ' LEU . 9.5 mt -154.95 80.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.39 127.1 30.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.397 1.061 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -122.95 179.0 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -62.84 123.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.608 1.193 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.65 28.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.49 156.75 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.583 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.84 148.5 38.92 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.586 1.179 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.43 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -134.39 154.89 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.547 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 24.5 p -138.82 124.7 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 477' ' ' ILE . 2.1 mm -78.21 113.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.73 -177.59 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 6.5 mmt -83.91 148.7 54.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 54.87 3.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -174.13 -41.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -103.73 121.23 42.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.61 0.829 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.588 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 3.6 tt0 -160.23 176.77 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.06 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 151.09 -162.11 29.33 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.581 1.176 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.598 HG13 ' ND1' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -57.24 -29.83 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.598 ' ND1' HG13 ' A' ' 485' ' ' VAL . 10.6 m-70 -108.55 -12.47 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.666 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 77.57 12.7 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' O ' ' A' ' 488' ' ' GLU . 0.0 OUTLIER -124.6 28.33 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 77.6 t -108.66 130.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 491' ' ' THR . 19.5 t-20 -63.36 132.02 50.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 490' ' ' ASN . 4.5 t -39.42 160.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.06 170.39 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.54 30.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 53.5 m -107.54 -26.41 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.74 62.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.9 m -134.68 55.07 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 78.8 p -179.03 85.42 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -75.0 78.63 2.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.12 -3.34 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 500' ' ' LEU . 1.4 tp 46.28 -156.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.338 1.024 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.59 19.75 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -102.37 3.69 38.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 515' ' ' GLU . . . 171.77 172.33 37.66 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.584 1.178 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 26.1 mmt85 -125.06 113.85 18.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.3 114.18 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 108.352 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.6 136.15 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.8 83.82 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -85.08 159.42 20.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.85 64.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 172.42 -35.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -172.17 178.76 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -105.09 144.68 31.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -128.63 122.17 30.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 514' ' ' CYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 512' ' ' PHE . 16.9 t -91.96 98.93 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 108.299 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 3.2 pt-20 -83.13 -173.19 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 148.93 35.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -64.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 525' ' ' CYS . 1.0 OUTLIER -162.8 -63.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 172.67 37.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.988 ' CD2' HG23 ' A' ' 521' ' ' THR . 0.9 OUTLIER -157.79 167.01 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.988 HG23 ' CD2' ' A' ' 520' ' ' PHE . 40.1 p 48.96 77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 65.99 139.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 79.04 122.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.632 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.04 124.45 40.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 518' ' ' THR . 2.4 m -135.78 126.65 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 411' ' ' GLN . . . . . 0.485 ' N ' HD21 ' A' ' 433' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.413 ' HB2' HD23 ' A' ' 433' ' ' LEU . 15.8 t70 -132.68 -179.97 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.826 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.6 p -87.86 150.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 31.7 t0 -85.76 76.62 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.824 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -59.29 -13.33 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -14.58 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.36 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.57 -13.03 12.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 413' ' ' VAL . 8.4 mt -73.32 -89.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -147.78 17.17 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.86 83.57 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.799 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.422 ' ND2' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t-20 -116.79 108.3 44.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.51 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.06 -39.63 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 6.1 m -44.76 -24.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.251 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER 72.38 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 4.3 p80 -144.84 34.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.907 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 179.41 101.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.27 23.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -97.52 126.58 42.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.758 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -113.01 110.72 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.269 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.783 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -114.34 168.86 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 432' ' ' THR . 13.6 t30 -108.61 135.2 50.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.35 163.31 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.447 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 411' ' ' GLN . 4.1 mt -71.92 122.54 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.36 -44.79 3.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.7 m -133.33 168.75 18.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.402 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 19.6 p90 -101.33 147.86 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.8 tt0 -113.3 145.36 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.9 t -142.69 125.99 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.364 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.676 ' HG3' HD11 ' A' ' 430' ' ' ILE . 29.2 mt-30 -82.83 154.7 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.449 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.6 m -85.58 165.84 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 1.085 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -149.32 143.59 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.464 ' CB ' HD22 ' A' ' 441' ' ' LEU . 0.1 OUTLIER 54.5 -98.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.54 72.15 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.592 1.182 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.907 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -102.25 159.73 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.929 HG23 HG22 ' A' ' 451' ' ' ILE . 1.4 t -104.06 -117.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.899 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 85.67 161.15 34.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 447' ' ' PRO . . . . . 0.436 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -75.08 -35.5 3.05 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.608 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -109.61 -5.22 15.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.374 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.608 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 2.4 t 96.62 71.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.84 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.3 pm0 -166.16 26.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 445' ' ' THR . 1.9 mp -130.18 145.97 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -98.7 129.42 45.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.406 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.2 OUTLIER -97.37 163.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 457' ' ' VAL . 35.9 t-20 -102.01 95.14 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 19.2 mp0 -60.72 -9.81 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -85.76 10.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 454' ' ' ASN . 24.2 m -86.22 -32.15 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 74.3 m -115.61 -2.15 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -145.73 57.99 4.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.08 -6.02 17.48 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.984 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 73.11 22.48 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.448 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 2.7 pt20 43.39 -147.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.9 m-80 -99.1 41.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.3 OUTLIER -136.92 25.74 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 179.2 145.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -82.36 109.33 16.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.84 146.2 50.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 108.291 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.1 mt -160.9 88.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.587 1.179 . . . . 0.0 109.22 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.61 138.84 57.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -125.86 -169.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.545 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -71.03 119.98 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.99 22.28 0.3 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.2 OUTLIER -168.5 153.23 6.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.753 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 9.4 p90 -124.06 161.15 26.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -140.83 136.97 32.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 466' ' ' THR . 14.3 p -128.15 112.43 14.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 477' ' ' ILE . 17.4 mm -79.42 119.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -177.42 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 11.2 mmt -85.21 148.01 49.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 54.64 3.71 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -147.46 -40.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -101.95 171.28 7.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.515 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -154.08 -176.95 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 105.43 -173.86 20.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.485 HG12 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -79.43 -24.21 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -99.45 -7.87 25.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.6 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 22.3 m 60.85 15.21 5.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -107.49 6.53 28.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.5 t -88.39 104.81 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.23 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 491' ' ' THR . 17.2 t-20 -67.14 143.31 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 490' ' ' ASN . 13.7 t -38.46 157.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.33 150.36 24.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -138.54 24.5 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.42 -10.53 55.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.67 -14.89 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.3 m -109.22 97.61 7.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 4.6 m 63.6 91.56 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.216 . . . . 0.0 110.023 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.03 -22.2 14.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 40.13 57.39 2.41 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.432 ' O ' ' N ' ' A' ' 502' ' ' ASN . 0.9 OUTLIER -87.57 161.84 17.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.41 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.5 m-70 69.76 -58.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 109.646 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 500' ' ' LEU . 12.7 p30 -85.31 4.03 36.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . 172.5 178.88 42.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 116.9 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.77 114.4 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -103.01 131.35 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.24 92.62 7.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -96.98 165.68 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.27 -65.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -47.74 -69.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -160.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.598 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -104.71 144.76 31.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.89 117.13 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.16 97.72 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -66.63 -176.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.38 142.49 24.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.458 ' HB2' ' CD2' ' A' ' 520' ' ' PHE . 18.4 Cg_endo -74.96 107.64 2.53 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.586 1.835 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 10.5 t -126.79 -39.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -60.05 -15.51 36.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 1.0 OUTLIER -82.92 9.53 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 520' ' ' PHE . 42.1 p 48.39 99.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.573 ' HA3' ' CZ ' ' A' ' 520' ' ' PHE . . . -157.59 -97.63 0.13 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.601 1.188 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.623 ' HB3' HD12 ' A' ' 524' ' ' LEU . 0.0 OUTLIER 179.24 -179.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.598 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 523' ' ' HIS . 6.2 mp 61.85 57.87 2.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 109.231 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 177.19 -64.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -139.03 178.98 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.71 151.18 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 18.0 t0 -87.75 78.26 8.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.533 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mt-10 -55.05 -14.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.08 24.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 108.254 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 20.0 t -76.28 -30.58 57.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 418' ' ' LEU . 2.7 mt -46.84 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 176.01 33.08 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.96 89.53 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.44 118.2 66.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.382 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 438' ' ' CYS . 18.2 Cg_endo -74.92 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 71.9 m -59.76 -12.34 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 423' ' ' CYS . 2.3 mt-10 84.05 -66.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 28.4 p-80 -161.03 -41.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.603 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -86.01 76.95 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.933 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 173.68 -179.02 45.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -114.79 131.72 56.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 0.82 . . . . 0.0 109.211 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -111.34 122.89 49.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 108.346 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.807 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -122.05 171.17 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 432' ' ' THR . 12.6 t30 -107.48 134.21 50.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -123.05 171.05 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.89 122.2 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.95 -44.67 3.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 6.3 m -132.59 174.47 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -104.46 146.14 29.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.193 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 430' ' ' ILE . 8.5 tt0 -113.88 150.69 33.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 3.5 t -144.18 125.37 14.6 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.807 ' HG3' HD11 ' A' ' 430' ' ' ILE . 25.9 mt-30 -70.81 149.51 46.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.9 m -82.5 158.45 23.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.933 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -119.19 104.43 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.406 ' OE1' ' CD1' ' A' ' 441' ' ' LEU . 0.0 OUTLIER 69.29 -94.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 110.245 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -128.33 76.35 0.41 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.603 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -103.9 160.91 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.91 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.1 t -102.47 -121.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.786 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.44 162.63 37.28 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -30.64 6.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.633 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 31.2 mmm180 -116.67 -6.8 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.633 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.7 t 100.27 71.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.182 . . . . 0.0 108.301 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 1.025 ' C ' HD12 ' A' ' 451' ' ' ILE . 2.9 pm0 -163.03 21.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 1.025 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.8 mp -128.76 146.8 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 18.8 t70 -97.69 125.18 42.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.9 p -97.84 168.82 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.55 ' N ' HG22 ' A' ' 453' ' ' VAL . 34.6 t-20 -101.9 105.83 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.521 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.3 pm0 -85.82 -16.85 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.77 10.56 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -76.44 -57.2 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.614 ' N ' HG12 ' A' ' 457' ' ' VAL . 8.8 t -90.58 3.27 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.684 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.9 OUTLIER -140.59 49.96 1.92 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.97 4.98 4.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.406 1.74 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 1.038 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 80.17 21.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.414 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 77.9 mt-30 69.03 -112.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -137.11 13.4 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.386 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -118.37 43.65 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 169.83 149.69 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.0 m -97.71 108.95 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -70.39 133.29 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 108.359 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.8 mt -126.46 88.04 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.01 121.07 13.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.79 -171.33 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -73.27 123.31 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 40.83 25.91 0.13 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -166.64 154.11 9.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.1 OUTLIER -142.89 151.69 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' LEU . 6.4 pt20 -144.08 134.77 24.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.9 OUTLIER -109.71 126.47 53.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.764 ' N ' HD12 ' A' ' 477' ' ' ILE . 1.8 mp -87.49 109.7 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 478' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -109.71 -176.74 3.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 19.5 mmt -84.28 151.84 60.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.02 4.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.76 -43.58 0.03 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -108.88 170.47 8.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.686 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -157.29 -179.96 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.41 -163.22 12.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -36.85 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 487' ' ' CYS . 0.0 OUTLIER -107.5 9.9 29.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 98.4 m 41.22 50.41 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 509' ' ' ILE . 3.7 tp10 -126.73 0.65 6.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.651 1.219 . . . . 0.0 110.28 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.09 129.63 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 491' ' ' THR . 14.1 p30 -75.3 92.5 2.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.385 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 490' ' ' ASN . 89.0 m 53.59 168.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 491' ' ' THR . 0.6 OUTLIER -89.71 166.65 13.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.466 ' N ' ' OE1' ' A' ' 493' ' ' GLU . 36.7 mp0 -148.82 30.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -140.47 31.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.24 -15.14 61.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -41.58 8.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.09 102.24 45.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.933 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.477 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.08 -12.67 21.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 77.4 m 70.98 -54.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.365 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.49 ' HA ' HD22 ' A' ' 500' ' ' LEU . 0.2 OUTLIER 78.96 -157.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -81.54 5.37 18.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.659 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.29 2.15 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 500' ' ' LEU . . . 175.0 159.74 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.475 ' HB3' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -116.04 113.77 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.1 OUTLIER -78.64 104.65 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.245 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' ' CD2' ' A' ' 512' ' ' PHE . 1.4 mp -78.29 144.17 36.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.614 ' CG ' HG21 ' A' ' 489' ' ' VAL . 14.1 t0 -105.25 81.67 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -82.98 161.68 21.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 488' ' ' GLU . 0.3 OUTLIER -82.38 71.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.4 OUTLIER 163.98 -40.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.5 175.43 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.238 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 494' ' ' CYS . 0.7 OUTLIER -104.22 145.23 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.32 108.89 10.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 5.1 t -75.98 106.38 7.54 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 504' ' ' ARG . 3.3 pt-20 -92.44 -162.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.54 142.2 24.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.526 ' HG2' ' CE1' ' A' ' 520' ' ' PHE . 18.4 Cg_endo -74.95 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.536 1.809 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 518' ' ' THR . 12.1 t -174.35 52.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 110.37 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -149.52 -55.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.589 ' CD2' ' O ' ' A' ' 520' ' ' PHE . 34.2 p90 -39.15 99.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 29.0 p -63.9 105.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.614 1.197 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 523' ' ' HIS . . . -177.82 -106.6 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 522' ' ' GLY . 0.0 OUTLIER 168.95 97.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.557 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.28 48.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 40.1 t -177.16 161.84 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.229 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.462 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.6 t70 -138.29 -179.11 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.512 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.5 OUTLIER -90.54 155.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -87.99 77.14 8.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.699 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -58.44 -15.77 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.13 -19.03 44.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.7 t -104.27 -20.35 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -68.75 -81.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -160.46 25.23 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.35 77.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.414 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t30 -116.0 106.07 50.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.482 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.3 Cg_endo -74.99 -40.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 84.0 m -50.47 -18.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.306 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.7 mt-10 77.59 -75.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.699 ' CE1' HG21 ' A' ' 471' ' ' ILE . 1.5 p80 -143.04 -43.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.755 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -97.82 108.12 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.11 169.88 19.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -103.47 121.14 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.731 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.56 115.42 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 108.286 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.781 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.38 170.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.372 1.045 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 432' ' ' THR . 9.6 t30 -106.14 132.26 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -122.5 169.3 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.462 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.3 mt -76.94 121.39 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.231 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.02 -43.77 3.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 432' ' ' THR . 11.1 m -132.86 168.24 18.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -101.6 144.94 29.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.9 tt0 -108.62 144.6 36.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 19.0 t -142.26 125.35 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.743 ' HG3' HD11 ' A' ' 430' ' ' ILE . 5.8 mt-30 -86.69 160.64 18.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.8 m -84.24 174.64 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.649 ' O ' HD22 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -155.8 126.59 6.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.1 OUTLIER 67.26 -98.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -142.18 71.21 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.755 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.5 m-85 -104.59 160.64 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.807 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.4 t -103.32 -121.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.754 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.13 155.61 19.48 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.27 9.28 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.396 1.735 . . . . 0.0 110.965 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.6 mmt180 -109.72 -6.63 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.0 OUTLIER 92.76 60.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 108.264 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -158.08 24.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.807 ' O ' ' N ' ' A' ' 445' ' ' THR . 32.8 mm -124.42 147.88 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.0 122.48 42.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.22 166.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.502 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 49.7 t-20 -102.24 109.45 21.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.2 pm0 -86.53 -19.49 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 3.0 p -87.13 8.34 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -73.64 -57.8 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.619 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -95.85 4.87 52.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.674 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.9 OUTLIER -141.51 50.38 1.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -74.97 4.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 1.0 OUTLIER 73.31 20.1 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.369 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 488' ' ' GLU . 0.5 OUTLIER 78.12 -173.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.24 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -68.29 -42.45 79.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.9 t70 -73.63 64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 163.35 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.3 m -86.09 122.55 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -81.55 123.44 28.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.36 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.9 mt -123.19 79.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 120.9 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.5 -177.0 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.699 HG21 ' CE1' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -64.92 122.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.414 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.74 28.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.571 1.17 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -165.84 154.99 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.533 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.16 154.91 45.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.438 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 1.1 pt20 -143.82 134.42 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 17.7 p -115.97 133.46 56.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.328 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.424 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 10.9 mm -96.46 157.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.55 166.2 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 3.5 mmt -112.94 150.11 42.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.32 5.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -168.77 -40.67 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.577 1.173 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 34.1 m-85 -120.22 170.29 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.37 -179.06 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.64 -161.29 12.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.709 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -80.55 -34.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.709 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 9.8 m170 -107.4 -5.7 17.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.553 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.422 ' HA ' ' C ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 59.87 34.35 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.257 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 462' ' ' GLN . 40.2 tp10 -103.61 -3.58 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.981 ' HA ' HG22 ' A' ' 509' ' ' ILE . 0.7 OUTLIER -88.7 117.2 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.576 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 18.5 p30 -77.27 89.54 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.655 HG23 ' N ' ' A' ' 492' ' ' ASP . 0.7 OUTLIER 40.36 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.655 ' N ' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -72.48 175.76 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -134.5 27.81 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.01 32.98 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.632 1.208 . . . . 0.0 108.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.91 -14.08 61.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.2 m -95.31 -63.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.78 93.11 36.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.98 89.35 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.4 m -68.33 58.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.912 ' O ' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -100.87 113.44 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.624 ' CG ' ' O ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER 157.14 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -102.52 4.28 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.361 1.038 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -140.39 157.75 25.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 517' ' ' PRO . 0.3 OUTLIER -119.86 113.33 20.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 514' ' ' CYS . 1.7 m -72.03 110.46 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.47 131.43 35.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.538 ' OD1' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -84.18 91.6 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -107.92 139.56 42.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.981 HG22 ' HA ' ' A' ' 489' ' ' VAL . 2.4 pp -48.39 108.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.461 ' CA ' ' OE1' ' A' ' 493' ' ' GLU . 23.0 m-20 54.49 58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 511' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 510' ' ' ASN . 2.1 mt-10 164.9 137.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.455 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 13.1 p90 -121.55 145.16 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.42 108.52 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 514' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 29.4 m -82.24 67.21 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.408 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.2 OUTLIER -68.09 -147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 516' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -98.7 142.47 24.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 504' ' ' ARG . 18.2 Cg_endo -74.98 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 22.2 m -158.55 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -86.42 39.98 3.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 522' ' ' GLY . 2.0 p90 -83.8 5.7 24.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 520' ' ' PHE . 63.3 p 36.6 79.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.475 ' O ' ' CE1' ' A' ' 520' ' ' PHE . . . 151.05 96.79 0.15 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -39.81 115.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 109.55 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 524' ' ' LEU . 0.3 OUTLIER -155.76 -75.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 154.05 20.54 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -140.05 179.58 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.381 1.051 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -84.49 148.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 14.8 t0 -89.16 78.74 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.466 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mp0 -57.33 -10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -92.74 -18.08 23.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 108.338 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 9.1 t -83.14 -27.8 29.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.373 1.045 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 418' ' ' LEU . 5.2 mt -40.64 -50.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 143.51 -13.66 2.25 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -88.69 77.82 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.402 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.6 t30 -81.95 115.1 55.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.98 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.56 1.821 . . . . 0.0 111.068 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HB3' ' HA3' ' A' ' 427' ' ' GLY . 3.2 m -45.71 -20.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.557 ' O ' ' CG ' ' A' ' 425' ' ' HIS . 15.7 mt-10 85.89 -72.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.557 ' CG ' ' O ' ' A' ' 424' ' ' GLU . 59.1 m80 -159.98 -40.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.477 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -95.77 81.73 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.551 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 172.6 172.66 38.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.65 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -110.38 140.21 44.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.749 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -116.52 108.62 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 108.286 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.762 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.2 171.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.2 t30 -105.16 137.45 42.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.493 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -128.02 173.75 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.48 122.52 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 80.86 -45.23 3.12 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.3 m -133.32 174.03 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.519 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 52.5 p90 -100.07 154.14 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 7.6 tt0 -114.88 149.51 37.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.65 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.0 t -137.99 134.05 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 430' ' ' ILE . 78.0 mt-30 -79.23 143.2 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.56 138.66 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 108.365 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.551 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -107.86 100.64 9.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 472' ' ' GLY . 0.3 OUTLIER 69.95 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -131.83 76.29 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 0.4 OUTLIER -102.4 161.26 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 111.083 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.016 ' CG2' HG22 ' A' ' 451' ' ' ILE . 5.0 t -104.58 -130.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.819 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.03 159.17 28.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 19.7 mmm180 -119.1 7.25 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 82.71 59.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 1.01 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.31 12.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 1.016 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -124.8 136.81 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 7.9 t0 -95.48 128.63 42.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 2.2 p -96.31 169.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.663 1.227 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 22.6 t-20 -101.57 104.18 15.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 10.8 pm0 -84.18 -14.34 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 7.4 t -90.52 6.97 41.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 108.349 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -77.36 -59.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 457' ' ' VAL . 13.6 m -96.34 5.29 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.681 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -140.5 50.27 2.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.92 3.05 5.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.518 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.3 m 72.26 21.43 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.581 1.176 . . . . 0.0 108.373 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.446 ' HG3' ' CD2' ' A' ' 486' ' ' HIS . 27.4 mt-30 78.91 -156.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -94.83 -16.3 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.79 45.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.31 124.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -68.41 109.46 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.03 129.76 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 108.236 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 13.4 mt -143.9 81.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.204 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 469' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 455' ' ' GLU . 5.2 t70 -67.35 127.08 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -117.19 -175.18 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.562 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.42 122.65 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 40.94 25.63 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -166.35 154.72 10.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.562 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.61 151.86 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.95 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.444 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -136.99 141.42 42.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 4.9 p -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.489 ' HA ' HD13 ' A' ' 477' ' ' ILE . 2.7 mm -68.74 157.18 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.266 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.27 167.15 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 44.4 mtp -106.25 151.43 40.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 60.19 5.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.49 -39.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.422 ' N ' ' CD1' ' A' ' 482' ' ' TYR . 7.0 m-85 -125.04 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.863 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -146.01 -178.92 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.69 -154.77 17.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.093 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.95 -38.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.561 0.801 . . . . 0.0 109.356 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.446 ' CD2' ' HG3' ' A' ' 462' ' ' GLN . 3.3 m-70 -106.28 -0.31 24.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 m 52.23 51.85 15.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.61 1.194 . . . . 0.0 108.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -131.55 4.01 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.9 OUTLIER -89.89 129.79 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.628 1.205 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.4 p30 -67.95 91.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.4 OUTLIER 52.87 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 491' ' ' THR . 0.8 OUTLIER -82.26 162.95 22.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 512' ' ' PHE . 1.5 mp0 -143.46 28.66 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.5 t -87.84 -11.25 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.95 71.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 496' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 497' ' ' SER . 0.6 OUTLIER -86.89 109.43 19.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 496' ' ' SER . 62.1 p 38.57 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.408 ' C ' ' SG ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 503' ' ' GLY . 0.5 OUTLIER 43.14 58.58 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 502' ' ' ASN . 33.7 mt -63.9 144.77 56.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.409 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.7 m-70 69.85 -59.34 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.451 ' HA ' ' CE2' ' A' ' 520' ' ' PHE . 4.6 m120 -71.05 -6.44 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . -171.73 158.37 29.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -113.99 125.87 54.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.53 139.74 57.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 513' ' ' GLN . 4.8 tp -125.77 131.44 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.64 ' CG ' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -97.81 97.54 9.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -107.68 156.34 19.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.688 HG22 ' HA ' ' A' ' 489' ' ' VAL . 3.7 pt -88.3 65.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.87 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -171.22 -165.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -115.52 145.14 42.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 513' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -116.75 131.18 57.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 44.5 t -95.87 86.65 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 504' ' ' ARG . 2.8 mm-40 -48.95 165.18 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 p -111.9 134.22 21.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -162.16 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.523 1.802 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 518' ' ' THR . 9.2 t -157.25 47.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -129.68 -42.66 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.841 ' O ' HG22 ' A' ' 521' ' ' THR . 78.1 m-85 -63.81 -40.66 97.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 520' ' ' PHE . 13.8 t 53.05 167.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 109.0 -53.04 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.91 -51.7 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.72 130.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -133.31 -64.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.1 -176.51 3.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.23 158.22 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 417' ' ' SER . 45.6 t0 -89.03 79.69 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.53 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.2 mp0 -52.77 -17.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.426 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -85.89 -23.9 26.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 414' ' ' ASP . 25.5 t -74.06 -28.11 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 418' ' ' LEU . 0.9 OUTLIER -53.52 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -172.2 26.83 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.47 89.66 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.386 0.698 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.426 ' OD1' ' SG ' ' A' ' 416' ' ' CYS . 1.6 t30 -114.92 105.09 53.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 17.9 Cg_endo -75.1 -38.96 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.561 1.821 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 30.1 m -49.51 -19.98 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 108.358 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.465 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.8 mm-40 68.38 -108.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -124.29 11.69 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 1.041 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -149.9 91.92 1.84 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.597 1.186 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.72 177.59 38.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.117 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.2 OUTLIER -117.73 111.43 19.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.384 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 115.34 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 108.317 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -117.2 169.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 432' ' ' THR . 7.1 t30 -105.03 134.29 48.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -123.82 171.9 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.31 122.35 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.61 -45.3 3.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.6 m -130.58 172.85 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -105.65 138.31 42.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 430' ' ' ILE . 7.8 tt0 -102.28 145.07 29.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.7 t -143.19 123.96 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 108.287 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 428' ' ' LYS . 8.2 mt-30 -78.28 159.21 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 158.36 15.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER -108.37 111.45 23.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 5.9 mm100 54.83 -103.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -109.43 69.78 0.21 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 1.041 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -100.54 158.36 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.353 0.678 . . . . 0.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.796 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -103.06 -124.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.801 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.92 157.69 14.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.82 9.74 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.819 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 10.1 mmt180 -107.43 -9.93 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.6 t 93.33 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -148.86 12.1 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.801 ' HB ' ' N ' ' A' ' 446' ' ' GLY . 5.9 mm -110.57 148.62 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -101.55 120.18 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.51 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.3 p -99.28 164.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.392 1.058 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.883 ' O ' HG22 ' A' ' 457' ' ' VAL . 62.2 t-20 -101.47 90.95 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.7 pm0 -61.48 -13.21 19.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -2.13 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 454' ' ' ASN . 19.4 m -83.38 -26.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 -4.74 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 1.1 m120 -149.26 58.76 3.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.91 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.593 1.838 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.38 18.29 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.355 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 83.21 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 464' ' ' ASP . 1.3 p-10 -77.61 -38.15 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.408 ' N ' ' ND2' ' A' ' 463' ' ' ASN . 0.5 OUTLIER -76.58 57.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.79 128.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 48.1 m -80.01 110.59 15.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 131.26 43.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 468' ' ' LEU . 6.2 mt -134.56 77.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 469' ' ' ASP . . . . . 0.402 ' HB2' ' OD1' ' A' ' 454' ' ' ASN . 8.7 t0 -65.14 133.45 51.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -137.87 -171.61 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.575 HG22 ' CB ' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -52.73 116.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 29.81 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 471' ' ' ILE . 22.1 tt0 -162.67 154.83 18.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.631 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.75 143.82 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 468' ' ' LEU . 10.6 pt20 -131.09 134.79 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 23.0 p -117.41 117.86 30.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.246 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 26.3 mm -81.58 141.05 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 47.4 m -101.25 151.08 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.374 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.8 151.7 55.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.13 3.77 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.505 1.792 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 174.48 -33.48 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -110.88 169.93 8.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.516 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -156.93 179.49 9.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.8 -168.56 12.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.484 ' HE1' HG12 ' A' ' 489' ' ' VAL . 0.0 OUTLIER -106.22 11.31 31.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.626 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.1 m 42.38 50.75 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -128.26 2.22 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.392 1.058 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.86 129.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.421 ' HB2' HG23 ' A' ' 509' ' ' ILE . 13.5 t30 -73.19 129.61 38.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 493' ' ' GLU . 7.9 t -83.11 144.39 29.9 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.88 147.36 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -125.24 2.64 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 25.0 m -102.73 54.31 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 108.268 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.4 77.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 496' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' SER . 3.9 t -156.72 -138.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' SER . 0.4 OUTLIER 35.31 74.76 0.53 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 1.89 7.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 503' ' ' GLY . 2.7 m 56.46 40.2 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -49.58 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.551 ' HA ' ' CE2' ' A' ' 520' ' ' PHE . 0.0 OUTLIER 82.6 -42.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.579 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -67.92 -20.3 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.393 1.058 . . . . 0.0 109.289 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . 144.61 -150.55 22.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -129.65 146.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 0.784 . . . . 0.0 110.257 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 42.7 t -91.77 133.3 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 108.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.58 135.25 55.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -99.4 96.19 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 510' ' ' ASN . 31.3 mtpt -99.25 138.74 35.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 509' ' ' ILE . 2.4 mp -63.43 79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.0 m-20 157.29 -39.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.06 170.83 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 493' ' ' GLU . 37.1 p90 -106.2 126.16 51.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.59 116.47 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 514' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 1.8 t -81.95 90.04 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 167.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.8 t -97.99 138.73 20.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.466 ' CG ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo -74.86 -163.89 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 518' ' ' THR . 10.1 t -175.58 53.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.469 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -155.91 -50.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 501' ' ' HIS . 27.9 m-85 -57.21 100.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 0.804 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 70.7 p -58.06 164.3 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 70.12 60.31 4.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.44 171.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.784 . . . . 0.0 109.552 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.5 mt -150.72 133.0 15.45 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 1.2 m -46.15 -60.78 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.248 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.9 179.3 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.664 HG22 HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.61 146.22 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.0 78.35 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -53.35 -19.41 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.445 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.4 OUTLIER -78.73 -23.43 45.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.5 t -98.52 -17.87 18.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.9 mt -76.11 -84.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -159.82 24.58 0.3 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.23 77.58 1.64 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.59 107.29 36.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.95 -32.7 5.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -41.91 -27.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.304 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 24.5 mt-10 85.34 -63.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.555 ' NE2' ' CG2' ' A' ' 471' ' ' ILE . 0.3 OUTLIER -161.13 -41.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.465 ' H ' ' CD2' ' A' ' 425' ' ' HIS . . . -106.32 105.4 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 160.78 164.13 15.15 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.623 1.202 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 430' ' ' ILE . 3.0 ttmt -92.78 129.3 38.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 0.695 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.789 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -118.64 121.75 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 108.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.789 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -120.26 169.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.9 t30 -109.3 136.39 48.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 0.0 109.229 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.46 170.42 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.348 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.25 123.1 25.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.38 -44.72 3.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.8 t -133.17 173.76 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.415 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 24.6 p90 -106.82 161.27 14.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -125.66 143.92 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 450' ' ' GLU . 46.1 t -142.25 125.06 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 12.7 mt-30 -86.46 148.8 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 1.8 p -86.87 171.24 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 108.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.79 149.46 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.486 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.5 OUTLIER 53.85 -100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -140.01 75.1 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.655 ' CE1' HD11 ' A' ' 441' ' ' LEU . 1.9 m-85 -103.16 161.67 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.932 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.45 -122.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.46 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.799 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 77.97 155.05 7.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 447' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -75.15 -21.51 15.52 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 16.2 mmt-85 -112.94 -8.55 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 90.73 56.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -149.46 16.78 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.932 HG22 ' CG2' ' A' ' 445' ' ' THR . 3.2 mp -120.34 146.07 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 14.5 t70 -98.97 124.6 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -98.5 165.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 1.6 t-20 -98.11 134.81 40.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.487 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.4 pm0 -120.15 -8.51 9.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.8 p -105.75 3.91 29.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 108.191 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -78.94 -52.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.5 OUTLIER -98.93 -0.86 41.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.4 OUTLIER -139.07 54.76 6.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.07 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.592 1.838 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 462' ' ' GLN . 9.6 m 80.36 1.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.58 ' O ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 34.29 -162.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.973 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 0.0 OUTLIER 79.56 -40.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.5 OUTLIER 150.75 -19.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.234 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.483 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -40.49 136.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.2 m -82.8 109.2 16.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.478 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.0 OUTLIER -69.14 121.75 17.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 467' ' ' CYS . 14.1 mt -125.45 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.62 121.44 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.03 -179.05 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -69.91 117.58 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.14 1.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 470' ' ' GLN . 17.7 pt-20 -164.81 154.2 13.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -142.84 155.06 44.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.426 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.6 138.35 27.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.483 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 25.8 p -117.82 122.52 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.254 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.513 ' HA ' HD13 ' A' ' 477' ' ' ILE . 1.1 mm -85.5 110.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.07 169.25 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.379 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 28.1 mmt -83.1 151.35 63.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.06 4.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.28 -43.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -99.31 166.98 10.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 111.029 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.3 OUTLIER -158.02 178.32 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 110.61 -174.45 17.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.591 1.182 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.47 HG13 ' ND1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -69.84 -37.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.5 0.764 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.47 ' ND1' HG13 ' A' ' 485' ' ' VAL . 5.3 m-70 -108.04 15.03 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.4 ' C ' ' O ' ' A' ' 486' ' ' HIS . 1.8 t 42.14 43.23 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.383 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.52 0.02 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.89 127.69 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.41 ' CG ' ' OD1' ' A' ' 507' ' ' ASP . 36.0 t-20 -73.61 124.28 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 23.5 m -58.07 129.19 40.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -100.59 137.29 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -126.3 8.37 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.1 p -132.89 39.23 3.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.208 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.54 -23.23 66.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.18 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.1 t -134.5 53.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.3 m -167.24 70.21 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 1.02 8.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.6 OUTLIER 67.65 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 108.256 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 502' ' ' ASN . 13.6 mt 61.58 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.6 m-70 69.36 -58.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.4 OUTLIER -75.71 -20.48 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.502 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 148.94 -156.97 27.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -129.44 144.52 51.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 110.234 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.72 129.68 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 1.0 OUTLIER -114.98 133.95 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.41 ' OD1' ' CG ' ' A' ' 490' ' ' ASN . 33.6 t70 -89.01 102.01 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 164.53 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 3.8 mt -83.55 66.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.393 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 6.5 t30 160.9 -39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.375 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -161.87 -170.12 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.429 ' O ' ' CG ' ' A' ' 512' ' ' PHE . 12.4 p90 -122.27 129.71 52.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.72 114.54 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 514' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -70.9 88.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 108.304 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 504' ' ' ARG . 0.7 OUTLIER -51.43 176.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 516' ' ' CYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -96.41 139.48 21.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.382 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.502 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo -74.99 162.2 37.54 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.43 1.753 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 15.3 t -165.91 -40.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -95.81 17.04 60.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -114.86 -58.21 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 522' ' ' GLY . 7.4 t -103.95 -50.91 3.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.451 ' N ' HG23 ' A' ' 521' ' ' THR . . . 108.69 -178.79 21.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 m170 55.27 168.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 0.709 . . . . 0.0 109.629 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 524' ' ' LEU . 0.9 OUTLIER -55.41 125.33 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -64.4 116.79 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -129.17 -178.23 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.64 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 417' ' ' SER . 12.6 t0 -90.07 78.74 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -54.27 -16.56 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.5 t -85.51 -23.61 27.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.35 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 414' ' ' ASP . 17.2 t -76.84 -32.52 57.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.372 1.045 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -64.23 -69.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -177.78 38.88 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.99 76.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -110.9 105.23 57.05 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -75.0 -37.21 2.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.412 ' CB ' ' HA3' ' A' ' 427' ' ' GLY . 0.0 OUTLIER -69.93 -3.34 15.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.123 . . . . 0.0 108.226 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 65.42 -100.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 10.2 m80 -118.5 -32.92 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.487 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -103.18 108.05 19.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 423' ' ' CYS . . . 148.17 165.95 12.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.422 1.076 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.801 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -96.65 137.99 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.767 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -129.43 120.44 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.801 HD12 ' HE3' ' A' ' 428' ' ' LYS . 0.0 OUTLIER -121.93 169.29 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 432' ' ' THR . 5.3 t30 -101.43 130.18 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.447 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -118.63 172.22 7.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.75 121.81 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.5 -44.75 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.365 1.041 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 14.4 m -132.16 174.88 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 415' ' ' GLU . 12.7 p90 -102.71 153.82 19.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.7 tt0 -115.62 147.23 41.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 8.4 t -142.11 129.67 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 24.2 mt-30 -88.28 154.19 20.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.4 m -84.17 164.58 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 1.092 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -150.3 138.84 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.512 ' HG2' ' CD2' ' A' ' 441' ' ' LEU . 2.9 mm100 60.51 -96.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.25 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -144.36 71.51 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.844 ' CE1' HD11 ' A' ' 441' ' ' LEU . 2.5 m-85 -103.37 158.46 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.947 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -105.88 -117.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.884 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.0 157.55 29.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.408 1.068 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -25.1 12.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 30.1 mmm180 -118.05 -6.52 10.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.2 t 96.57 68.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 108.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.925 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.1 pm0 -166.19 27.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.179 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.947 HG22 HG23 ' A' ' 445' ' ' THR . 1.8 mp -131.21 147.02 32.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.68 128.75 43.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.554 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.77 163.3 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.871 ' ND2' HG23 ' A' ' 457' ' ' VAL . 44.3 t-20 -82.69 105.28 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 0.5 OUTLIER -79.47 -18.16 52.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -97.38 19.06 13.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 108.278 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.871 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.6 OUTLIER -90.29 -57.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.625 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -93.51 2.83 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.4 OUTLIER -140.91 52.59 3.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.9 OUTLIER 72.04 21.26 4.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.0 OUTLIER 81.95 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 2.0 p-10 -80.71 -34.36 34.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.6 t70 -80.78 59.01 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 173.07 130.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.8 m -83.41 111.16 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -76.19 141.45 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 467' ' ' CYS . 12.6 mt -140.81 96.42 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.76 120.81 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -111.04 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.567 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.7 OUTLIER -75.79 112.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 53.61 18.33 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 7.1 pt-20 -165.05 159.84 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 459' ' ' ASN . 8.8 p90 -133.08 160.77 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.02 134.66 24.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 1.6 p -117.43 143.73 45.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.508 ' HA ' HD13 ' A' ' 477' ' ' ILE . 3.0 mm -96.85 141.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 80.5 m -101.49 147.42 26.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 108.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.02 152.51 42.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 83.23 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 172.86 -31.62 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 21.5 m-85 -121.57 171.13 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 0.82 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -144.91 -177.51 5.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 106.01 -177.56 22.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.62 -19.95 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 485' ' ' VAL . 18.3 m170 -107.55 9.34 29.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 3.3 m 43.37 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -117.49 5.62 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 507' ' ' ASP . 2.9 t -89.15 102.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 1.5 p30 -64.44 90.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 52.63 165.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.4 ' OD2' ' SG ' ' A' ' 494' ' ' CYS . 24.2 t70 -84.35 143.83 29.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -5.52 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.4 ' SG ' ' OD2' ' A' ' 492' ' ' ASP . 1.5 p -118.44 38.32 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.9 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -75.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.92 104.54 18.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 505' ' ' CYS . 18.3 Cg_endo -75.03 -6.19 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER 39.97 57.48 2.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.39 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 502' ' ' ASN . 1.3 pt? -75.58 161.1 29.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.4 m-70 69.39 -59.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.666 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.9 t30 -81.31 -7.49 59.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.04 47.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.26 112.97 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER -76.02 121.37 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.2 mp -98.01 131.26 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.659 ' CG ' HG11 ' A' ' 489' ' ' VAL . 6.4 t0 -86.89 95.95 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -103.06 148.3 25.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 488' ' ' GLU . 1.6 pt -82.02 63.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.01 -35.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -163.64 -161.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.501 ' N ' ' CD1' ' A' ' 512' ' ' PHE . 2.3 p90 -130.37 145.02 51.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.075 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 513' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.1 OUTLIER -123.23 114.32 20.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.335 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 49.7 t -93.12 69.42 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.229 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.12 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 110.176 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.56 148.63 34.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 108.259 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo -75.02 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.719 ' O ' HG22 ' A' ' 518' ' ' THR . 1.4 m -167.4 63.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -145.3 -44.98 0.04 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -41.39 137.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 38.41 81.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 86.95 -115.86 4.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.18 83.13 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 0.752 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -171.25 141.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 41.6 t -83.95 69.15 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -144.43 177.43 8.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.499 ' CG2' HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -82.98 147.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.45 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 21.9 t0 -91.79 78.44 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.84 -18.81 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.45 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -82.76 -15.75 50.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 108.279 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -109.79 -10.69 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.939 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.7 mt -73.86 -90.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.458 1.099 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.76 1.05 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.78 89.54 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -111.74 104.5 56.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.14 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.614 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.6 Cg_endo -74.96 -37.79 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.42 1.747 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.0 m -44.45 -24.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 6.7 mt-10 76.01 -70.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 69.5 m80 -151.95 -44.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.44 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -105.48 100.19 9.78 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.699 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 163.88 169.29 27.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.682 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -102.31 137.79 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 0.717 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.879 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.66 119.11 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.85 169.11 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 20.5 t30 -108.94 134.87 51.03 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -125.99 163.86 22.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.381 1.05 . . . . 0.0 110.348 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.14 123.58 23.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.64 -45.09 3.33 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 432' ' ' THR . 13.4 t -133.22 170.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.614 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -104.6 155.02 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -120.31 143.23 48.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 1.9 t -143.44 126.37 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 430' ' ' ILE . 38.2 mt-30 -79.56 160.31 26.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.34 146.0 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.699 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -105.65 114.6 28.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.524 ' OE1' HD12 ' A' ' 441' ' ' LEU . 0.1 OUTLIER 68.48 -93.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -135.56 77.27 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.594 1.184 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.8 m-85 -102.85 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.055 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.7 t -101.17 -123.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.832 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.46 165.65 39.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.055 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 5.2 mmt180 -113.33 0.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.7 OUTLIER 92.82 68.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 108.369 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.748 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.3 OUTLIER -157.23 17.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 1.055 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.9 mp -127.27 144.12 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 4.4 t0 -93.09 131.8 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.516 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.23 157.29 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.963 ' O ' HG22 ' A' ' 457' ' ' VAL . 51.1 t30 -102.41 88.57 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 10.4 mp0 -55.58 -17.48 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.419 ' HB3' ' OD1' ' A' ' 454' ' ' ASN . 51.2 t -70.35 -6.38 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 108.368 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.963 HG22 ' O ' ' A' ' 454' ' ' ASN . 12.6 m -89.17 -23.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.347 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 28.2 m -118.71 -2.82 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -154.99 60.77 2.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.02 -7.08 18.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.454 1.765 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.933 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.53 22.86 2.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 3.6 pt20 47.9 -147.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 2.8 m120 -102.34 42.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 19.8 m-20 -145.45 42.22 1.26 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 168.18 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.5 m -69.51 108.59 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 146.31 44.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.2 mt -159.6 87.16 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.69 145.14 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -135.02 -172.68 3.11 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.69 120.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.68 24.13 0.14 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.115 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.24 154.35 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 455' ' ' GLU . 13.1 p90 -127.9 158.34 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.702 HE22 ' CD1' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -140.35 147.34 39.69 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.432 1.083 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 466' ' ' THR . 8.3 p -138.99 126.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.702 ' CD1' HE22 ' A' ' 475' ' ' GLN . 4.9 mm -85.53 115.64 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -175.93 3.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 35.9 mtt -87.53 148.83 45.12 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.612 1.195 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.62 3.7 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -145.53 -42.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -104.55 171.19 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.989 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.552 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 1.7 tt0 -155.23 -175.5 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 108.3 -178.12 21.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.614 1.196 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -72.53 -23.94 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.428 0.722 . . . . 0.0 109.363 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.416 ' C ' ' N ' ' A' ' 488' ' ' GLU . 6.3 m-70 -104.65 3.81 32.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.564 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.8 m 49.5 23.67 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.416 ' N ' ' C ' ' A' ' 486' ' ' HIS . 0.2 OUTLIER -114.94 7.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.359 1.037 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.3 t -88.51 116.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.603 1.189 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 509' ' ' ILE . 27.8 t-20 -67.11 143.71 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 490' ' ' ASN . 1.6 m -37.55 157.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 170.76 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.38 20.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 4.6 p -107.85 35.94 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.242 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.59 -17.13 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -69.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.47 96.26 39.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.33 10.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.69 74.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 108.203 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 502' ' ' ASN . 70.5 mt -95.23 162.97 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 4.3 m80 69.14 -59.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.1 OUTLIER -84.67 -2.77 57.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -173.35 171.14 44.26 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -129.24 114.15 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 110.385 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.6 OUTLIER -74.0 121.24 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 508' ' ' LYS . 0.9 OUTLIER -100.35 131.76 46.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 490' ' ' ASN . 3.3 t0 -95.95 90.17 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' A' ' 506' ' ' LEU . 15.6 mmtt -85.82 153.03 22.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.5 pp -69.81 62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.608 1.192 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.4 t30 170.99 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 179.11 6.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.08 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -105.49 145.0 31.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.11 117.43 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.47 104.36 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.0 OUTLIER -90.84 -150.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 516' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -98.4 148.44 34.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.99 36.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.401 1.737 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 518' ' ' THR . 14.4 t -157.3 37.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.452 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 176.85 38.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.35 16.66 1.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.79 162.09 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -42.33 -59.38 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -162.74 -179.73 7.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.664 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.7 mp 70.64 152.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.7 t -47.24 -60.38 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -128.52 -178.14 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.59 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 417' ' ' SER . 21.1 t0 -91.25 79.64 5.66 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.4 mp0 -52.9 -18.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.2 t -84.19 -21.68 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 414' ' ' ASP . 9.3 t -82.17 -29.71 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -65.33 -70.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -176.25 34.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -127.23 75.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.18 104.2 52.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.488 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.99 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.611 1.848 . . . . 0.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 57.5 m -49.72 -18.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.233 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.488 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.7 mt-10 73.9 -63.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 5.4 p-80 -166.32 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.975 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -88.88 74.68 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.779 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 177.95 171.9 41.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.0 126.82 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.804 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -118.97 122.03 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.22 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.25 169.5 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 432' ' ' THR . 8.4 t30 -102.39 133.72 46.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.492 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -122.99 172.21 8.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.0 122.52 25.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.8 -44.79 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 7.1 m -132.79 173.32 11.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -102.25 152.23 21.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -113.94 144.5 42.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 24.0 t -143.71 124.93 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 430' ' ' ILE . 9.0 mt-30 -85.86 158.29 19.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 6.8 m -82.68 156.1 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.779 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -112.08 100.2 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 8.5 mm100 66.97 -99.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -116.65 69.0 0.29 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.975 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.1 m-85 -101.86 159.38 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.775 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -104.14 -123.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.758 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.51 156.74 23.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -28.65 8.94 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.582 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 48.3 mmm-85 -110.01 -8.95 14.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.1 t 95.84 61.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.708 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -156.31 21.68 0.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.625 1.203 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 445' ' ' THR . 27.8 mm -121.6 148.46 25.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.57 121.87 42.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.88 167.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.64 ' ND2' HG23 ' A' ' 457' ' ' VAL . 54.3 t-20 -102.06 108.61 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.4 pm0 -85.74 -17.84 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.17 . . . . 0.0 110.219 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.5 p -90.35 6.81 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.64 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -75.48 -58.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.635 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.0 OUTLIER -98.06 4.76 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.029 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 1.0 OUTLIER -139.8 51.4 2.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -74.98 8.96 2.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 462' ' ' GLN . 0.8 OUTLIER 75.1 2.06 3.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.626 ' O ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 34.61 -164.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 77.36 -44.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.9 OUTLIER 152.06 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.208 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.601 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -38.39 147.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.4 m -87.19 115.08 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 116.75 15.97 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 468' ' ' LEU . 4.2 mt -116.16 82.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.203 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 119.39 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -118.12 -174.68 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.428 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -67.36 121.05 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 39.24 28.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 471' ' ' ILE . 3.9 pt-20 -165.18 152.71 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.517 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -144.03 157.08 44.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.472 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 1.1 pt20 -143.5 138.22 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.157 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.73 120.28 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 35.6 mm -80.13 138.31 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 67.9 m -101.88 148.33 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 479' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 482' ' ' TYR . 2.7 ptt? -83.73 151.96 62.26 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.22 5.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.491 1.785 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.04 -41.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.401 ' CD1' ' HE3' ' A' ' 479' ' ' MET . 48.6 m-85 -117.92 170.74 8.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.0 OUTLIER -145.25 -179.26 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 483' ' ' GLU . . . 109.94 -165.58 12.37 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.428 1.08 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER -77.2 -36.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.411 ' O ' ' C ' ' A' ' 487' ' ' CYS . 0.0 OUTLIER -108.94 13.51 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.637 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 486' ' ' HIS . 0.0 OUTLIER 41.31 49.93 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 108.268 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 13.1 tt0 -118.63 -4.17 10.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -89.21 121.83 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.9 p30 -64.49 91.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 492' ' ' ASP . 66.4 m 50.16 174.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 491' ' ' THR . 1.4 t70 -95.83 149.95 20.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 493' ' ' GLU . 12.4 pm0 -139.18 21.1 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 1.059 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 497' ' ' SER . 0.5 OUTLIER -129.39 30.35 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 108.339 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.513 ' HB2' ' OD1' ' A' ' 492' ' ' ASP . . . -74.15 -15.97 61.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 2.6 m -81.92 -67.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.417 ' O ' ' SG ' ' A' ' 494' ' ' CYS . 1.0 OUTLIER -114.56 97.78 47.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.6 Cg_endo -75.02 -3.99 14.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.403 1.739 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 39.61 62.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.343 1.027 . . . . 0.0 108.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.64 ' C ' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -89.01 162.61 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.627 ' CG ' HD22 ' A' ' 500' ' ' LEU . 1.9 m-70 68.63 -59.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.5 m120 -69.61 -7.66 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.491 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 156.13 -162.92 31.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 515' ' ' GLU . 7.0 ttt180 -130.15 142.13 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 0.825 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.16 118.72 34.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 4.7 mp -92.93 131.54 37.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.455 ' HB3' HG21 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -89.0 91.31 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -89.75 164.48 14.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.0 pt -72.61 -23.92 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -85.87 -51.01 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.32 -152.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 53.7 p90 -124.08 143.81 50.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.02 130.25 39.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 31.6 m -90.11 82.15 6.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 504' ' ' ARG . 3.1 pt-20 -53.69 171.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.6 p -97.33 135.67 21.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.267 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.491 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.5 Cg_endo -74.95 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 3.0 m -159.97 -44.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -37.73 -51.13 1.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 501' ' ' HIS . 18.2 m-85 -65.08 88.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 31.1 p -60.32 83.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . -146.39 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -125.65 85.63 2.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 0.715 . . . . 0.0 109.567 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 524' ' ' LEU . 1.0 OUTLIER -41.25 121.26 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.3 t -126.44 145.73 50.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 108.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -139.33 179.93 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -85.21 151.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 56.3 t0 -92.28 77.7 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -55.85 -17.53 6.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -82.05 -16.92 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.9 t -103.88 -23.51 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -65.0 -79.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -169.53 29.12 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.18 79.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 0.823 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -111.01 104.48 56.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -75.1 -27.03 10.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -73.85 47.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 108.281 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 423' ' ' CYS . 9.6 mm-40 27.24 -107.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 43.5 m80 -132.17 8.11 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.4 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -137.11 80.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . -179.82 -173.56 44.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -111.32 134.74 52.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.724 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -125.1 110.3 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.777 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.87 169.14 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.3 t30 -107.33 136.3 47.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.403 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.464 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.73 170.83 12.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.449 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.73 123.04 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.71 -44.81 3.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 432' ' ' THR . 9.0 t -133.34 172.9 12.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.494 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 10.6 p90 -105.27 152.52 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.6 tt0 -111.85 145.21 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 6.0 t -141.82 125.56 16.96 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.168 . . . . 0.0 108.396 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.615 ' HG3' HD11 ' A' ' 430' ' ' ILE . 35.8 mt-30 -84.37 153.89 23.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 6.1 m -83.52 148.13 27.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -106.43 104.15 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 68.14 -93.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.21 75.0 0.42 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.968 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.8 t -103.35 -122.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.088 . . . . 0.0 110.358 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.93 161.5 32.37 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.33 5.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 29.3 mmt-85 -110.64 -8.63 14.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.8 t 98.43 65.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.955 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.8 OUTLIER -156.84 19.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.968 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -123.55 145.9 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.22 122.18 39.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.0 OUTLIER -99.12 166.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 457' ' ' VAL . 58.5 t-20 -102.18 98.94 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.512 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.6 pm0 -73.82 -2.69 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 2.5 t -89.24 3.28 52.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 454' ' ' ASN . 5.1 m -77.85 -31.06 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 14.6 m -106.29 -10.06 16.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.544 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.3 OUTLIER -138.03 58.04 14.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -75.01 -6.27 17.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.49 22.79 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.253 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.66 ' O ' ' ND2' ' A' ' 463' ' ' ASN . 0.8 OUTLIER -46.62 127.47 9.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.676 HD21 ' HB3' ' A' ' 488' ' ' GLU . 6.9 p30 148.34 -20.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 3.2 m-20 152.14 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -70.98 160.56 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.1 m -105.27 110.12 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.35 150.5 18.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.4 mt -160.99 86.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.45 132.81 43.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.459 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -121.38 -177.03 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.573 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.29 126.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.94 27.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -165.72 166.56 17.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 0.715 . . . . 0.0 110.318 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.564 ' C ' ' CD1' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.408 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.0 OUTLIER -141.67 155.58 45.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 466' ' ' THR . 16.5 p -148.79 126.53 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 39.5 mm -81.25 110.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.38 166.64 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 5.0 mmt -94.77 155.29 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.88 3.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -177.52 -34.7 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -94.02 171.59 8.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.459 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -154.45 179.52 8.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.528 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 111.21 179.91 20.07 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.647 ' CG1' ' CE1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -79.74 -25.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.25 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.647 ' CE1' ' CG1' ' A' ' 485' ' ' VAL . 12.4 m-70 -107.98 -4.23 18.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.556 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 59.4 m 71.64 6.01 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.676 ' HB3' HD21 ' A' ' 463' ' ' ASN . 1.2 pp20? -92.0 17.09 9.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.218 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.528 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.5 t -110.38 105.27 18.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.441 ' CB ' ' HA ' ' A' ' 509' ' ' ILE . 22.9 t-20 -66.23 142.56 57.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 4.2 m -39.43 154.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 148.64 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.34 26.73 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 498' ' ' PRO . 32.1 t -84.96 0.87 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.46 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 -54.61 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.401 1.063 . . . . 0.0 109.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 105.68 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.405 ' HA ' ' SG ' ' A' ' 494' ' ' CYS . 18.5 Cg_endo -74.94 -24.42 12.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.399 1.736 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.2 m 48.42 75.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.346 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.927 ' O ' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -111.19 118.2 35.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.554 ' HB3' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.19 -45.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.99 -17.0 64.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.486 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 158.31 -160.31 30.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.94 140.59 52.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 0.774 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.98 118.2 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 108.265 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 5.1 mp -99.16 151.6 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.35 89.59 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.74 156.85 23.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -73.45 71.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.9 m-20 156.42 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -159.13 -173.92 4.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 20.1 p90 -114.55 144.32 43.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.395 1.059 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.83 108.85 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.97 82.41 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.02 167.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.2 138.07 20.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.262 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 520' ' ' PHE . 18.3 Cg_endo -75.05 176.3 10.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 518' ' ' THR . 8.8 t -152.35 44.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -141.76 -47.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 517' ' ' PRO . 8.3 p90 -56.03 160.51 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 49.1 p -136.22 102.94 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -176.72 -128.86 1.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 133.66 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.567 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 524' ' ' LEU . 0.5 OUTLIER -45.87 142.28 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.4 p -65.43 130.7 44.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.355 1.034 . . . . 0.0 108.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -160.03 -179.51 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.573 1.17 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.89 153.58 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 417' ' ' SER . 10.0 t0 -90.59 82.46 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -50.76 -20.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.4 t -81.85 -22.58 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 414' ' ' ASP . 6.1 t -86.97 -25.92 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -68.41 -81.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.19 25.52 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.43 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.377 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.414 ' ND2' ' SG ' ' A' ' 416' ' ' CYS . 27.9 t-20 -116.61 106.82 47.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.494 ' CG ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.04 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 3.4 m -46.85 -22.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.8 mt-10 66.81 -90.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 10.1 p-80 -128.26 -39.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.594 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.832 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -109.69 108.74 19.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.16 153.65 6.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -85.89 136.11 33.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.778 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -128.88 121.86 29.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.57 168.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 431' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -105.6 129.76 53.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -120.04 171.92 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.133 . . . . 0.0 110.494 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.42 122.17 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.94 -44.46 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.405 ' O ' ' OG1' ' A' ' 432' ' ' THR . 12.6 t -132.3 174.59 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.4 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 22.4 p90 -108.0 147.8 30.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.0 tt0 -107.42 145.62 32.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.479 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 27.0 t -142.87 127.75 18.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 108.197 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.6 ' HG3' HD11 ' A' ' 430' ' ' ILE . 25.1 mt-30 -89.39 150.0 22.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.238 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.7 m -84.73 171.16 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.585 ' N ' ' CD1' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -154.08 128.56 9.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.6 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -148.58 77.67 0.24 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.395 1.06 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.832 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.4 m-85 -104.11 161.77 13.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.943 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -102.56 -120.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.836 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.75 161.95 34.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 447' ' ' PRO . . . . . 0.487 ' CD ' HD13 ' A' ' 451' ' ' ILE . 18.1 Cg_endo -75.07 -32.3 5.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -112.98 -7.33 13.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.629 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 99.05 69.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.2 pm0 -162.48 23.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.943 HG22 HG23 ' A' ' 445' ' ' THR . 2.2 mp -128.79 146.52 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -95.66 128.79 42.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.566 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.72 158.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.765 ' ND2' HG23 ' A' ' 457' ' ' VAL . 41.6 t-20 -79.16 106.0 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -79.3 -19.55 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.5 OUTLIER -97.82 23.22 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 108.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.765 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -93.98 -57.17 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.615 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -94.17 4.13 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.4 OUTLIER -140.87 50.76 2.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.0 1.51 7.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.069 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.54 21.92 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 108.344 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.4 tt0 87.83 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -101.61 -27.22 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.5 OUTLIER -92.77 62.26 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 170.99 137.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 32.9 m -76.92 154.56 33.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.183 . . . . 0.0 110.443 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.1 OUTLIER -124.95 128.21 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 467' ' ' CYS . 31.4 mt -126.08 102.81 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.11 121.2 22.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -116.6 -172.89 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.83 117.05 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.63 23.34 0.33 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.5 154.81 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.766 . . . . 0.0 110.322 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.663 ' CE2' ' O ' ' A' ' 459' ' ' ASN . 0.7 OUTLIER -141.14 162.0 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -140.14 133.16 29.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 466' ' ' THR . 18.3 p -113.14 136.9 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 41.7 mm -93.53 119.43 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 7.4 m -101.73 164.12 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.287 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.7 mtp -84.69 152.83 60.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.53 5.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -158.72 -40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.414 ' HE2' HG23 ' A' ' 509' ' ' ILE . 40.5 m-85 -116.87 171.41 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -152.37 -176.11 5.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 110.6 -176.45 18.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.448 HG12 ' CE1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -77.42 -22.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.934 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.448 ' CE1' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.04 7.33 29.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.561 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 58.2 m 45.74 31.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.38 10.29 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.365 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.9 t -89.35 109.93 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 490' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -64.22 131.6 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.432 HG23 ' OE2' ' A' ' 493' ' ' GLU . 8.8 t -40.36 159.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.412 ' HA ' ' OD1' ' A' ' 507' ' ' ASP . 0.4 OUTLIER -78.07 151.75 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.1 mp0 -141.01 13.2 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.7 t -84.89 -25.25 28.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.99 -14.84 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -56.61 2.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.07 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.597 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -119.62 83.75 28.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.561 1.821 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.9 OUTLIER -64.18 94.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.276 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 500' ' ' LEU . 0.2 OUTLIER -126.77 154.13 44.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 517' ' ' PRO . 2.9 m-70 69.53 -56.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.646 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 22.2 m120 -84.05 -20.78 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.402 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -168.05 -167.81 29.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.17 139.6 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 0.705 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.53 109.51 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.605 HD22 ' CD ' ' A' ' 515' ' ' GLU . 6.2 tp -103.18 131.68 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.352 1.033 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 0.6 OUTLIER -102.08 88.29 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -86.29 174.51 9.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.451 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 1.1 mp -91.89 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 1.0 OUTLIER 159.26 -44.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.33 -177.52 5.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.597 ' CD2' ' OG ' ' A' ' 497' ' ' SER . 16.1 p90 -107.16 145.31 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -123.5 134.11 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.227 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 56.0 m -86.1 93.6 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.233 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.605 ' CD ' HD22 ' A' ' 506' ' ' LEU . 0.6 OUTLIER -70.72 -161.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.52 146.64 31.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.503 ' CB ' ' O ' ' A' ' 501' ' ' HIS . 18.7 Cg_endo -74.9 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -135.25 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 519' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 518' ' ' THR . . . -35.79 -32.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.409 1.068 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 518' ' ' THR . 83.5 m-85 -86.73 42.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 0.723 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 518' ' ' THR . 0.8 OUTLIER -177.15 -43.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 110.47 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.423 ' O ' ' CB ' ' A' ' 523' ' ' HIS . . . 66.12 59.75 7.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.423 ' CB ' ' O ' ' A' ' 522' ' ' GLY . 0.2 OUTLIER 167.27 51.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 0.706 . . . . 0.0 109.62 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 3.7 mp 58.69 168.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 69.88 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.45 -178.78 4.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.4 HG12 ' OE2' ' A' ' 415' ' ' GLU . 0.4 OUTLIER -89.78 155.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 417' ' ' SER . 18.5 t0 -85.79 78.58 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -53.97 -17.28 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.7 t -85.08 -18.9 32.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.4 t -87.35 -28.19 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -64.81 -72.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -174.2 32.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.74 75.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 -105.91 105.86 54.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -74.99 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.508 1.793 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 5.1 m -48.43 -19.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.283 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 72.91 -57.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -162.54 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.977 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -102.35 108.63 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.41 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 148.64 165.39 12.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.424 1.078 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.708 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -93.44 138.66 31.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.713 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -127.43 121.27 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.713 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.12 169.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 431' ' ' ASN . 5.7 t30 -102.29 126.66 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -115.75 170.59 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.43 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.94 121.03 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.08 -45.46 3.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.453 ' HA ' ' OE1' ' A' ' 415' ' ' GLU . 8.7 m -132.47 171.94 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.935 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.2 p90 -98.13 155.77 16.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.8 tt0 -119.91 146.24 45.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 1.4 t -142.08 130.42 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 108.315 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 430' ' ' ILE . 30.4 mt-30 -86.88 158.92 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.5 172.06 12.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.665 ' O ' HD22 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -158.16 119.76 3.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 70.12 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.06 73.29 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.977 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -104.38 160.84 14.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.6 t -102.89 -125.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.681 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.11 163.03 38.4 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.416 1.072 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -32.93 4.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.508 ' C ' ' OE2' ' A' ' 450' ' ' GLU . 18.7 mmt-85 -119.66 9.18 11.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 85.69 65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.758 ' O ' HD13 ' A' ' 451' ' ' ILE . 14.3 pm0 -153.77 19.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.566 1.166 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' A' ' 445' ' ' THR . 36.5 mm -127.54 147.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 5.4 t0 -101.17 122.05 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.513 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.7 166.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.685 ' ND2' HG23 ' A' ' 457' ' ' VAL . 45.0 t-20 -101.85 110.19 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.513 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.2 pm0 -84.74 -19.98 31.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.7 p -92.82 14.63 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 108.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.685 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.7 OUTLIER -81.64 -58.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.629 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.1 t -107.89 3.73 24.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.591 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -138.19 55.52 8.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.96 -3.54 14.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.564 1.823 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 78.79 0.41 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 108.268 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.539 ' HG3' ' C ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 34.05 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.567 ' ND2' ' O ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.09 30.15 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 463' ' ' ASN . 46.6 t0 69.28 17.48 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -81.0 121.67 26.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.1 m -69.85 108.87 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 136.56 57.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.239 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.664 HD12 HE21 ' A' ' 475' ' ' GLN . 3.5 mt -135.18 84.56 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 118.65 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.234 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -120.9 -173.38 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.553 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -63.59 115.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.354 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.76 28.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 471' ' ' ILE . 3.6 pt-20 -164.67 153.19 12.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.413 0.714 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -145.4 160.76 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.664 HE21 HD12 ' A' ' 468' ' ' LEU . 2.8 pp0? -143.53 151.65 40.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 12.8 p -124.83 116.87 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 477' ' ' ILE . 0.8 OUTLIER -75.73 110.34 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.8 178.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.233 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 13.0 mtp -84.02 151.21 60.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 52.73 3.13 Favored 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -138.88 -40.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.42 1.075 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -107.97 169.44 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -152.42 178.12 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.19 -174.55 15.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.591 1.182 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -38.38 77.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.454 ' C ' ' N ' ' A' ' 488' ' ' GLU . 0.0 OUTLIER -109.09 13.75 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.633 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.567 ' O ' ' ND2' ' A' ' 463' ' ' ASN . 40.8 t 43.51 27.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.49 ' HA ' HD22 ' A' ' 463' ' ' ASN . 28.4 tt0 -98.48 0.22 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.385 1.053 . . . . 0.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 483' ' ' GLU . 1.7 m -101.68 125.28 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 491' ' ' THR . 28.2 t-20 -68.12 144.5 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.26 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.98 171.35 9.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.406 ' N ' ' OE1' ' A' ' 493' ' ' GLU . 1.9 pm0 -148.35 18.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 28.78 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.46 62.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.08 10.73 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.32 103.46 8.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.92 -34.79 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 60.8 9.92 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 108.301 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.528 HD12 ' HA ' ' A' ' 500' ' ' LEU . 5.3 tp 46.65 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -76.22 -13.05 60.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -70.76 -11.1 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -155.37 135.81 4.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.58 114.09 27.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.28 100.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 108.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.96 132.04 41.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.52 86.24 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.77 137.42 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.425 ' O ' ' ND2' ' A' ' 510' ' ' ASN . 1.4 mt -70.55 66.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.5 OUTLIER 163.38 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.17 -170.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.248 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.99 145.2 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.59 108.85 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 6.7 t -79.02 83.82 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 165.11 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 516' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 525' ' ' CYS . 1.7 p -108.66 117.78 53.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.28 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -92.35 -23.96 25.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.608 1.192 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.92 52.72 3.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.415 0.715 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 1.9 t -171.48 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 522' ' ' GLY . . . . . 0.644 ' O ' ' CD2' ' A' ' 523' ' ' HIS . . . -108.22 -41.93 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 522' ' ' GLY . 0.0 OUTLIER 76.82 111.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.596 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.39 84.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 516' ' ' CYS . 0.6 OUTLIER -49.78 104.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.733 ' HB2' HD23 ' A' ' 433' ' ' LEU . 10.7 t70 -139.47 149.77 44.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.383 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.543 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.7 p -124.89 160.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 417' ' ' SER . 19.7 t0 -83.5 77.93 9.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.5 mp0 -63.66 -7.79 8.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -17.16 30.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.242 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 0.2 OUTLIER -104.88 -19.32 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 110.013 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.7 OUTLIER -61.04 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.316 1.01 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -162.17 25.23 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.617 1.198 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.31 92.34 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.792 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -112.35 104.09 55.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.545 ' CG ' ' CD ' ' A' ' 450' ' ' GLU . 18.4 Cg_endo -75.03 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 4.8 m -42.31 -24.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.52 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 69.67 -93.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.211 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 0.1 OUTLIER -140.38 50.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.776 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 161.92 98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.6 175.83 24.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.593 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.9 OUTLIER -103.54 136.48 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.76 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.2 OUTLIER -112.85 109.77 19.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.377 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -114.6 169.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.7 t30 -108.7 137.76 46.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -126.89 166.17 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 412' ' ' ASP . 3.7 mt -73.17 123.21 23.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.03 -46.0 3.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 432' ' ' THR . 9.5 m -133.2 174.2 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 0.699 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -100.95 155.19 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -124.27 145.73 49.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.204 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.52 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -144.22 132.5 21.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG3' HD11 ' A' ' 430' ' ' ILE . 46.7 mt-30 -78.59 149.21 33.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 141.62 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.355 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -103.44 119.78 39.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 4.5 mm100 61.3 -101.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.62 72.44 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.776 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.4 m-85 -100.3 161.0 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.922 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.09 -123.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.621 1.201 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.875 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.69 158.14 20.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.581 1.175 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.43 11.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 28.0 mmm180 -114.61 -4.55 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.6 OUTLIER 90.34 58.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 108.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.911 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -148.99 14.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.922 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.4 mp -117.48 145.36 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.79 128.06 44.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.532 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.61 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.955 ' O ' HG22 ' A' ' 457' ' ' VAL . 60.1 t-20 -100.66 91.19 4.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 474' ' ' PHE . 13.1 mp0 -59.83 -9.54 3.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -83.26 6.98 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 454' ' ' ASN . 16.5 m -100.18 -25.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.456 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 0.4 OUTLIER -117.05 4.01 12.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.913 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -155.42 57.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -75.04 -0.35 9.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.8 OUTLIER 72.97 20.78 3.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.13 . . . . 0.0 108.301 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.3 tt0 84.53 -149.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.21 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 3.4 p-10 -112.02 32.19 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.09 36.67 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.699 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.33 135.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -77.75 109.03 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 142.01 56.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.26 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 64.0 mt -146.94 101.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' C ' ' OD2' ' A' ' 469' ' ' ASP . 4.2 t0 -64.87 120.86 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.1 OUTLIER -112.16 -168.68 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.01 112.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.97 22.71 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.16 154.28 7.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 0.735 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 25.4 p90 -116.95 162.13 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.12 132.37 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.626 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -119.68 132.3 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 108.268 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 477' ' ' ILE . 15.6 mm -99.17 110.68 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 -174.09 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 31.3 mtp -84.52 151.62 59.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -143.97 -42.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -102.07 170.93 7.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.3 OUTLIER -155.08 -176.16 5.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 484' ' ' GLY . . . . . 0.479 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.27 -175.97 22.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.411 1.069 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -78.08 -19.03 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.754 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' A' ' 485' ' ' VAL . 13.8 m-70 -105.74 2.78 28.24 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.501 1.125 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.0 m 49.71 30.21 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 108.351 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -126.96 10.59 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.761 HG11 ' CG ' ' A' ' 507' ' ' ASP . 9.9 t -89.33 112.86 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 509' ' ' ILE . 6.3 p30 -67.75 91.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.367 1.042 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 57.23 154.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.24 134.07 37.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 25.64 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 17.83 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.234 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.82 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -62.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.4 p -136.38 98.38 11.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -74.91 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 500' ' ' LEU . 22.5 m 38.49 59.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 108.319 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.465 ' H ' HD23 ' A' ' 500' ' ' LEU . 2.6 pt? -57.02 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 61.9 m80 67.92 -107.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -105.11 -21.19 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . -68.46 154.48 53.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.32 137.87 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.783 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 130.85 40.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.501 HD13 ' OE2' ' A' ' 515' ' ' GLU . 1.1 tp -108.07 131.46 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.761 ' CG ' HG11 ' A' ' 489' ' ' VAL . 32.6 t0 -95.0 96.37 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -92.53 145.43 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER -74.63 57.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 21.6 t-20 176.64 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -163.88 -163.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.223 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -124.31 145.33 49.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.71 123.09 39.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 96.65 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.501 ' OE2' HD13 ' A' ' 506' ' ' LEU . 4.7 pt-20 -89.15 91.39 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 128.91 30.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.405 ' O ' ' HB ' ' A' ' 518' ' ' THR . 18.3 Cg_endo -75.04 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 517' ' ' PRO . 5.9 t -176.26 50.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.103 . . . . 0.0 110.44 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -152.12 -56.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.582 1.176 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -45.31 -58.88 2.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 523' ' ' HIS . 76.0 p -102.85 60.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 38.47 -96.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 523' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 521' ' ' THR . 0.3 OUTLIER -141.29 67.48 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.668 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 2.4 tp -133.34 93.99 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 44.7 t -148.72 143.32 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 108.286 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.1 t0 -160.26 124.97 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.711 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.1 p -104.32 157.76 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 60.5 t0 -90.71 76.43 6.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -58.77 -15.11 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -16.96 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.8 t -108.36 -19.1 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.2 mt -69.85 -81.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.99 24.53 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.422 1.076 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.83 77.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -115.68 105.52 51.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.507 ' HB2' HD12 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -74.97 -34.35 3.92 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 426' ' ' ALA . 83.4 m -60.47 -9.73 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 423' ' ' CYS . 8.2 pt-20 49.0 40.67 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 425' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 424' ' ' GLU . 11.8 m80 77.65 -7.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 423' ' ' CYS . . . -109.69 75.21 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.13 -169.69 32.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -105.42 120.2 40.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.712 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -108.47 114.29 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.411 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.753 HD13 ' N ' ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.37 169.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.5 t30 -108.57 138.61 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -126.65 164.21 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.1 mt -71.86 122.86 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.42 -44.65 3.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 432' ' ' THR . 8.2 m -133.1 169.36 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 45.6 p90 -100.33 160.14 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -128.98 141.83 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.4 t -142.27 126.17 17.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.658 ' HG3' HD11 ' A' ' 430' ' ' ILE . 6.9 mt-30 -86.61 158.43 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.4 p -87.52 172.53 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -144.72 153.76 42.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.483 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.7 OUTLIER 47.21 -98.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -139.13 68.68 0.49 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 3.0 m-85 -104.11 160.03 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 445' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -104.06 -114.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.73 158.59 22.23 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 447' ' ' PRO . . . . . 0.438 ' HG2' ' CD ' ' A' ' 448' ' ' ARG . 18.2 Cg_endo -75.0 -27.75 9.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.2 OUTLIER -112.07 -5.78 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.224 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 91.88 60.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.362 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -156.9 21.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 1.001 HG22 HG23 ' A' ' 445' ' ' THR . 1.1 mp -127.73 144.14 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.6 t70 -89.52 137.29 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.533 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -101.11 162.05 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 457' ' ' VAL . 63.4 t-20 -101.53 89.64 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.586 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 12.6 mp0 -60.85 -11.72 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -79.04 2.19 21.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.396 1.06 . . . . 0.0 108.223 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.4 m -96.91 -25.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.22 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 458' ' ' SER . . . . . 0.465 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 58.1 m -116.92 0.82 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -156.31 58.7 1.77 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.95 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.4 m 71.1 22.22 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.348 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 74.37 -169.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -92.31 39.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 27.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -164.48 127.84 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.5 m -69.69 109.2 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 131.98 45.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 108.386 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 468' ' ' LEU . 28.2 mt -137.12 95.81 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 0.6 OUTLIER -64.39 125.86 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.195 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.7 -168.04 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.618 1.198 . . . . 0.0 110.29 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -72.98 118.83 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.0 24.35 0.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -169.88 153.93 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.2 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 18.9 p90 -120.68 162.5 19.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -142.25 133.42 26.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -121.7 126.7 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.421 HD13 ' HA ' ' A' ' 477' ' ' ILE . 12.8 mm -83.19 148.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 478' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 482' ' ' TYR . 40.9 t -102.98 145.26 30.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.85 152.57 53.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.39 5.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.39 -41.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.405 ' O ' ' SG ' ' A' ' 478' ' ' CYS . 20.0 m-85 -120.31 171.36 8.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 0.806 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.619 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.2 OUTLIER -149.1 -178.25 6.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.08 -163.22 12.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.533 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.3 -35.66 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.533 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.54 6.31 27.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 38.9 t 45.11 39.01 3.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 0.0 OUTLIER -112.18 -0.42 15.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.19 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -88.9 122.45 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 491' ' ' THR . 5.9 p30 -77.56 92.55 4.07 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 490' ' ' ASN . 12.6 t 51.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.21 161.95 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.6 pm0 -144.83 26.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.3 25.74 10.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.31 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -67.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.069 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.95 90.32 50.56 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.28 21.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.0 OUTLIER 41.77 56.71 3.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 501' ' ' HIS . 6.4 tp -81.16 163.51 23.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 3.3 m170 69.27 -58.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 502' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m-20 -81.47 4.58 20.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . 160.31 -177.76 36.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -129.96 139.56 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.57 125.94 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.4 mp -92.54 132.1 37.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.578 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -80.63 96.74 6.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -106.24 147.15 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.6 pt -76.25 60.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.63 -159.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 6.3 p90 -127.05 132.68 50.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 513' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -110.02 114.9 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 74.4 m -81.95 95.45 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 108.282 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 504' ' ' ARG . 2.8 pt-20 -71.76 -179.42 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.61 141.48 23.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.246 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 520' ' ' PHE . 18.5 Cg_endo -75.01 105.36 2.07 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.665 ' OG1' HD23 ' A' ' 524' ' ' LEU . 9.8 t -127.35 7.18 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -116.3 0.25 20.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.485 ' CD2' ' O ' ' A' ' 520' ' ' PHE . 7.6 p90 -87.24 15.67 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 35.1 p 48.2 -173.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 53.25 80.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 64.67 115.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.574 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.665 HD23 ' OG1' ' A' ' 518' ' ' THR . 6.4 mp -86.23 167.58 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.08 -58.81 2.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.415 ' HB2' HD23 ' A' ' 433' ' ' LEU . 19.4 t70 -155.72 179.25 9.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.99 149.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 26.7 t0 -91.93 77.45 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.35 -18.69 7.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.232 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -81.27 -19.07 43.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.1 t -99.18 -20.03 16.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.6 mt -73.6 -79.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -165.76 26.88 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.29 78.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 0.75 . . . . 0.0 109.331 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -120.88 106.24 39.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.96 -28.39 9.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 50.6 m -50.17 -19.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 423' ' ' CYS . 3.5 mm-40 72.24 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -139.75 -44.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.532 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.229 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.08 163.63 18.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.3 OUTLIER -99.95 128.59 46.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.822 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -112.37 119.71 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.822 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -121.71 169.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 432' ' ' THR . 18.1 t30 -107.55 135.62 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.83 165.15 19.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -72.61 122.74 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.25 -44.29 3.15 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.493 1.12 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 432' ' ' THR . 23.1 t -132.84 169.81 16.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.633 0.843 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 436' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 28.8 p90 -104.74 144.55 31.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 432' ' ' THR . 5.2 tt0 -107.04 144.11 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 16.6 t -143.65 124.83 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.24 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.555 ' HG3' HD11 ' A' ' 430' ' ' ILE . 23.9 mt-30 -82.3 155.87 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.3 p -86.57 156.99 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.35 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 441' ' ' LEU . 0.4 OUTLIER -113.93 136.42 52.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 6.0 mm100 44.16 -101.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.248 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.46 70.76 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.5 m-85 -100.27 160.81 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.883 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.9 t -102.62 -124.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.871 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.23 157.39 11.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -25.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.4 mmt-85 -110.33 -5.81 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 0.0 110.352 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 88.08 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.751 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -144.93 6.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.883 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.7 OUTLIER -107.12 147.01 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 25.7 t0 -100.8 125.7 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.6 p -97.98 167.98 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 1.02 ' O ' HG22 ' A' ' 457' ' ' VAL . 40.9 t-20 -101.05 90.5 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.51 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.0 pm0 -64.43 -5.32 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 456' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 469' ' ' ASP . 20.6 t -88.62 11.36 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 454' ' ' ASN . 13.0 m -109.81 -22.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 6.6 p -115.56 -7.46 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 474' ' ' PHE . 1.7 m120 -140.3 59.28 12.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.524 ' HA ' ' SG ' ' A' ' 467' ' ' CYS . 18.4 Cg_endo -75.04 -2.73 12.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.72 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.8 t 75.02 20.11 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 5.3 tt0 84.34 -141.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 463' ' ' ASN . . . . . 0.453 ' OD1' ' NE2' ' A' ' 462' ' ' GLN . 3.6 p-10 -116.9 -1.62 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 464' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 73.7 m-20 -116.6 54.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.087 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 176.25 120.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 0.9 OUTLIER -66.89 106.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 467' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 49.8 t -63.64 163.04 12.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 468' ' ' LEU . 1.4 mt -170.09 90.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.177 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 469' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -75.71 151.54 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -152.72 -162.61 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.355 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -53.45 118.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 25.1 41.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 471' ' ' ILE . 4.3 pt-20 -169.01 155.02 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 0.709 . . . . 0.0 110.355 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 459' ' ' ASN . 5.9 p90 -135.72 139.75 43.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 468' ' ' LEU . 8.8 pt20 -121.93 144.01 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.379 1.05 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 466' ' ' THR . 13.7 p -127.06 137.55 53.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.466 ' HA ' HD13 ' A' ' 477' ' ' ILE . 10.8 mm -103.21 115.55 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -84.64 152.35 59.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 55.1 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.762 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.12 -42.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 58.0 m-85 -109.47 170.48 8.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 483' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.4 tt0 -154.25 -179.95 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.03 -177.8 16.43 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.462 HG12 ' CG ' ' A' ' 486' ' ' HIS . 1.2 t -68.71 -34.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.462 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -108.05 -1.56 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.657 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 487' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 57.5 m 60.39 28.29 17.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.102 . . . . 0.0 108.222 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.86 3.33 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 489' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 483' ' ' GLU . 2.0 m -107.88 128.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.719 ' H ' HG23 ' A' ' 509' ' ' ILE . 24.6 t-20 -67.71 144.57 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.24 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -51.7 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -76.34 174.69 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.07 . . . . 0.0 109.194 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.35 43.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 494' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -140.91 46.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.58 -14.85 60.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.26 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 0.0 109.871 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 497' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 53.4 m -101.26 111.35 63.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.949 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 498' ' ' PRO . . . . . 0.455 ' HB2' HD22 ' A' ' 500' ' ' LEU . 18.4 Cg_endo -75.02 -25.83 11.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 498' ' ' PRO . 52.5 t 46.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 498' ' ' PRO . 1.0 OUTLIER -145.37 27.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 1.5 m80 -131.96 -46.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.619 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -99.69 -19.66 16.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.431 ' HA2' ' HD3' ' A' ' 517' ' ' PRO . . . -176.91 -179.5 47.34 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.411 1.069 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -113.44 118.74 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 0.817 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 505' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 497' ' ' SER . 1.2 m -59.72 106.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.718 HD23 ' HG3' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -98.44 131.99 44.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -93.87 132.66 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.719 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.8 OUTLIER -69.8 64.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 508' ' ' LYS . 0.2 OUTLIER 167.85 -44.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.23 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -151.64 -172.13 4.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.1 OUTLIER -117.54 122.05 42.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -105.96 161.29 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.38 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.38 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.718 ' HG3' HD23 ' A' ' 506' ' ' LEU . 4.5 mm-40 -61.27 -139.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 137.05 21.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.431 ' HD3' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo -75.05 -173.83 1.72 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 518' ' ' THR . 12.8 t -160.84 51.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -151.35 -48.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 521' ' ' THR . 53.8 p90 -38.04 -40.8 0.51 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.763 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.572 ' HB ' ' CE2' ' A' ' 520' ' ' PHE . 9.9 t -92.41 -39.45 11.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.46 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 129.05 64.35 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.472 1.108 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.05 85.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.668 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.8 82.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 525' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 517' ' ' PRO . 29.0 t -175.95 54.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 412' ' ' ASP . . . . . 0.581 ' HB2' HD23 ' A' ' 433' ' ' LEU . 4.8 t70 -136.0 163.79 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 413' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 418' ' ' LEU . 2.4 p -112.25 152.78 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 414' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.9 t0 -89.53 76.31 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.396 1.06 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 415' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.1 mp0 -55.98 -19.24 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 416' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.0 OUTLIER -79.0 -19.77 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.371 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 44.5 t -99.05 -25.67 14.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 418' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -67.34 -78.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.95 31.69 0.24 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 420' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.73 75.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 0.805 . . . . 0.0 109.241 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 421' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 4.1 t30 -116.52 107.33 47.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 422' ' ' PRO . . . . . 0.609 ' O ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.97 -36.48 2.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 423' ' ' CYS . . . . . 0.638 ' O ' ' C ' ' A' ' 424' ' ' GLU . 85.2 m -65.41 56.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 424' ' ' GLU . . . . . 0.638 ' C ' ' O ' ' A' ' 423' ' ' CYS . 25.0 mt-10 16.36 -96.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -135.68 11.36 3.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 426' ' ' ALA . . . . . 0.953 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -139.44 105.02 5.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 427' ' ' GLY . . . . . 0.864 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.64 -175.97 33.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 428' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -109.9 121.95 46.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 429' ' ' CYS . . . . . 0.679 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -109.46 109.5 20.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 430' ' ' ILE . . . . . 0.854 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -110.67 169.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 431' ' ' ASN . . . . . 0.444 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.8 t30 -108.83 139.88 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 432' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.72 170.49 12.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 433' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.8 mt -76.28 122.38 24.31 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 434' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 412' ' ' ASP . . . 83.2 -44.87 3.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.2 m -132.49 172.51 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -103.6 155.4 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 430' ' ' ILE . 5.9 tt0 -122.02 146.75 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 438' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 47.9 t -142.01 124.55 15.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 439' ' ' GLN . . . . . 0.854 ' HG3' HD11 ' A' ' 430' ' ' ILE . 10.5 mt-30 -81.94 159.94 23.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 440' ' ' CYS . . . . . 0.455 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.2 m -82.0 157.77 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.35 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 441' ' ' LEU . . . . . 0.864 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.3 OUTLIER -111.63 96.83 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 442' ' ' GLN . . . . . 0.478 ' OE1' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 69.21 -92.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.227 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -123.71 71.21 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 444' ' ' TYR . . . . . 0.953 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -103.87 160.97 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 0.828 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 445' ' ' THR . . . . . 0.921 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.97 -121.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 446' ' ' GLY . . . . . 0.861 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.65 156.89 17.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.27 10.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 448' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 14.0 mmt180 -110.63 -9.72 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 449' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 95.48 62.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 450' ' ' GLU . . . . . 0.966 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -157.37 22.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 451' ' ' ILE . . . . . 0.966 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.6 mp -124.01 145.33 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 452' ' ' ASP . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.42 123.84 40.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 453' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.4 OUTLIER -98.87 160.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 454' ' ' ASN . . . . . 0.805 ' O ' HG22 ' A' ' 457' ' ' VAL . 57.9 t-20 -97.45 89.65 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 455' ' ' GLU . . . . . 0.537 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 0.8 OUTLIER -59.47 -14.84 14.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -2.17 28.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 457' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 454' ' ' ASN . 31.2 m -75.62 -26.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 67.1 m -119.66 -0.54 10.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 459' ' ' ASN . . . . . 0.607 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 1.0 OUTLIER -150.95 58.33 2.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 460' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.841 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 461' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 7.3 m 70.98 20.21 5.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 462' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 82.85 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -102.75 -27.0 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -67.44 -9.99 47.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 465' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -123.18 124.49 43.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.3 m -73.57 109.71 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 148.88 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 468' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 468' ' ' LEU . 7.0 mt -154.73 79.53 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.01 145.61 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 470' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -150.94 -165.44 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 471' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -52.52 115.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 472' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 26.39 40.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 473' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -170.54 154.41 4.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 474' ' ' PHE . . . . . 0.607 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -138.39 159.59 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 475' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 9.5 pt20 -136.51 151.84 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 476' ' ' CYS . . . . . 0.898 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 1.7 p -130.18 113.36 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 477' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 5.7 mt -67.76 162.55 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 478' ' ' CYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 1.9 t -120.72 151.35 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.1 mmt -99.63 150.27 36.65 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.66 5.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.54 -41.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.152 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 482' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 40.1 m-85 -129.2 170.38 13.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.34 -179.85 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 121.71 -174.87 16.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 485' ' ' VAL . . . . . 0.574 ' CG1' ' CE1' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -70.0 -32.02 49.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 486' ' ' HIS . . . . . 0.574 ' CE1' ' CG1' ' A' ' 485' ' ' VAL . 11.9 m-70 -108.23 -9.18 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.71 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 84.4 m 65.24 36.58 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' OE1' ' A' ' 462' ' ' GLN . 5.7 tp10 -112.64 -3.83 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.8 m -96.62 125.0 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 490' ' ' ASN . . . . . 0.67 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.0 OUTLIER -62.67 147.13 50.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 491' ' ' THR . . . . . 0.472 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.55 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 492' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 495' ' ' ALA . 25.4 t0 -69.09 162.34 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.393 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 493' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -133.13 22.31 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.19 45.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 108.278 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 495' ' ' ALA . . . . . 0.437 ' N ' ' OD2' ' A' ' 492' ' ' ASP . . . -68.73 -17.64 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -55.47 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.41 99.35 40.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.31 11.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 499' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 503' ' ' GLY . 1.0 OUTLIER 70.06 30.77 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.377 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 500' ' ' LEU . . . . . 0.461 ' HA ' HD22 ' A' ' 500' ' ' LEU . 0.2 OUTLIER -50.67 125.09 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 501' ' ' HIS . . . . . 0.425 ' HB3' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.38 -45.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.636 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -69.17 -20.18 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 503' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 151.13 -151.84 23.75 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 515' ' ' GLU . 5.7 ttp180 -127.2 125.36 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 118.2 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 506' ' ' LEU . . . . . 0.651 HD23 ' HD3' ' A' ' 508' ' ' LYS . 4.9 tp -98.97 141.42 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 507' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.9 OUTLIER -103.23 89.28 3.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 508' ' ' LYS . . . . . 0.651 ' HD3' HD23 ' A' ' 506' ' ' LEU . 1.8 mmmt -86.3 165.48 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 509' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -87.96 69.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 510' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 2.6 m-20 158.48 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 512' ' ' PHE . . . . . 0.47 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 1.4 p90 -116.56 144.05 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.1 108.28 13.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 34.4 t -69.48 80.27 0.4 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 515' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 504' ' ' ARG . 59.7 mm-40 -44.99 168.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.18 133.2 21.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 517' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' A' ' 520' ' ' PHE . 18.5 Cg_endo -74.89 176.22 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 518' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 518' ' ' THR . 9.0 t -150.54 43.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -143.02 -50.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 520' ' ' PHE . . . . . 0.536 ' O ' ' CG ' ' A' ' 520' ' ' PHE . 12.5 p90 -49.08 121.41 4.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 0.802 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 521' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 520' ' ' PHE . 0.5 OUTLIER 75.94 166.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.459 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -46.92 -94.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.482 1.113 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -62.35 -173.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 524' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -114.1 -177.13 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 1.2 p -81.98 147.58 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 108.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 431' ' ' ASN . 9.4 t0 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.358 -0.608 . . . . 0.0 109.358 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.476 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.1 p -112.43 160.48 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.453 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 15.1 t0 -93.12 77.71 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.9 mp0 -57.92 -15.72 9.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.453 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -85.88 -15.53 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 1.0 OUTLIER -110.22 -9.25 14.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -73.39 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -148.11 16.66 1.35 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.56 90.86 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 103.24 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.569 1.168 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.618 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.1 Cg_endo -75.01 -40.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 6.1 m -43.96 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.519 ' N ' ' C ' ' A' ' 422' ' ' PRO . 7.4 mt-10 68.61 -106.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.624 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 10.9 m-70 -131.64 46.4 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 1.036 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 168.08 90.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 162.13 172.47 29.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -103.14 137.1 41.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.89 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -119.54 117.43 28.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.334 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.89 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.73 168.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.5 t30 -108.17 134.72 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.21 163.31 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.57 122.57 20.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.9 -44.65 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.605 1.191 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 432' ' ' THR . 15.1 m -132.89 169.3 16.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.618 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 5.7 p90 -102.98 149.69 24.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -114.58 142.92 45.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.0 t -143.88 127.52 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 430' ' ' ILE . 45.6 mt-30 -80.97 160.5 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 444' ' ' TYR . 0.1 OUTLIER -93.7 155.3 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.609 HD13 ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.06 106.48 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.609 ' NE2' HD13 ' A' ' 441' ' ' LEU . 0.6 OUTLIER 68.68 -93.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.38 74.65 0.43 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 1.036 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.3 m-85 -103.03 160.97 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.759 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.3 t -101.93 -126.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.692 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.32 163.77 38.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.77 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.3 OUTLIER -118.92 6.88 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 87.61 62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 108.263 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 451' ' ' ILE . 17.9 pm0 -149.39 15.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.759 ' O ' ' N ' ' A' ' 445' ' ' THR . 33.3 mm -122.91 147.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 6.4 t0 -101.42 121.98 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.499 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.99 165.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.6 t-20 -101.66 92.23 4.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.497 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -64.14 -7.56 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 8.36 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.3 m -100.17 -26.27 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -4.61 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.614 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -144.28 56.55 4.18 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.95 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.679 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.66 20.87 2.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 86.8 -145.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -115.27 41.54 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.404 ' OD1' ' OE1' ' A' ' 488' ' ' GLU . 0.4 OUTLIER -151.19 38.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.679 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.02 134.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 466' ' ' THR . 0.5 OUTLIER -78.47 110.14 13.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 134.35 47.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.342 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.8 mt -134.09 95.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . 0.404 ' CG ' ' HA ' ' A' ' 454' ' ' ASN . 48.9 t0 -65.58 125.43 25.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -124.69 -172.71 2.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.66 114.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.59 27.29 0.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.62 158.25 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.614 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -142.24 160.55 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.475 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -141.16 134.64 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.645 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -114.98 121.69 43.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 477' ' ' ILE . 19.6 mm -92.06 115.67 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -173.35 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 58.7 mtp -83.19 152.25 64.57 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 55.48 3.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.7 -43.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 28.1 m-85 -112.72 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.0 tt0 -158.14 -178.33 7.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.149 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.71 -171.4 13.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.501 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -70.41 -34.44 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.501 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.83 6.59 27.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 52.1 m 44.2 47.25 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 4.3 tp10 -127.58 -1.33 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.94 117.19 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.659 ' O ' HG22 ' A' ' 491' ' ' THR . 5.2 p30 -71.33 90.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 490' ' ' ASN . 8.8 t 48.53 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -95.8 159.77 14.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 109.238 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.7 pm0 -146.2 22.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.5 p -95.34 12.86 27.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.33 -14.3 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 44.5 m -103.93 24.96 10.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 1.3 p -166.5 90.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 500' ' ' LEU . 17.9 Cg_endo -75.01 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.44 ' CB ' ' HA3' ' A' ' 503' ' ' GLY . 19.9 m 77.52 -48.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 500' ' ' LEU . 5.2 tp 69.66 170.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 29.2 m170 67.39 -110.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.486 ' O ' ' CD ' ' A' ' 517' ' ' PRO . 7.0 m-20 -106.02 -20.04 13.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 502' ' ' ASN . . . -32.99 111.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.03 115.83 26.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 7.3 p -77.85 141.75 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 108.21 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.658 HD23 ' CE ' ' A' ' 508' ' ' LYS . 1.3 tp -103.79 132.87 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.456 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -81.81 100.57 9.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.658 ' CE ' HD23 ' A' ' 506' ' ' LEU . 16.1 mmtt -111.4 154.13 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 3.9 pt -81.69 63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.372 1.045 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.84 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.37 -165.32 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 2.4 p90 -116.5 144.69 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -115.41 109.52 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.15 97.55 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 108.353 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.29 171.73 7.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 32.5 t -111.11 116.13 51.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 108.245 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.486 ' CD ' ' O ' ' A' ' 502' ' ' ASN . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 413' ' ' VAL . 13.0 t70 . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.472 ' N ' ' OD2' ' A' ' 412' ' ' ASP . 0.3 OUTLIER -82.14 145.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 30.3 t0 -90.27 81.05 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.706 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -54.71 -15.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.448 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -86.08 -21.17 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.241 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 414' ' ' ASP . 2.5 t -96.39 -15.46 21.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -73.03 -90.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -153.85 22.57 0.7 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.8 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -114.75 105.5 53.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.508 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -36.05 2.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.7 m -43.78 -23.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 108.294 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.485 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.2 mm-40 69.5 -99.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.596 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 9.0 m-70 -136.21 44.26 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.652 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.951 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 169.47 97.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 157.67 174.39 27.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.795 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -104.87 138.78 40.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.356 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.835 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.95 119.78 32.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 108.211 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.835 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.05 169.68 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.413 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 42.6 t30 -108.14 135.12 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -127.41 165.14 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 123.71 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.48 -46.52 3.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.0 m -133.03 173.38 11.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 17.9 p90 -104.61 162.16 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.2 tt0 -125.01 145.29 49.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.2 t -142.41 130.19 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.483 ' HG3' HD11 ' A' ' 430' ' ' ILE . 50.4 mt-30 -82.34 152.87 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 4.1 m -83.77 155.2 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -110.76 98.95 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 9.4 mm-40 65.49 -100.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -113.08 69.46 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.951 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.0 OUTLIER -101.94 159.5 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.969 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.6 t -103.91 -123.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.439 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.713 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.59 160.37 35.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.594 1.183 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -30.62 7.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -116.72 -3.69 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.3 t 97.01 68.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.395 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.725 ' O ' HD13 ' A' ' 451' ' ' ILE . 3.0 pm0 -161.42 23.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.794 ' O ' ' N ' ' A' ' 445' ' ' THR . 42.2 mm -128.11 149.06 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.7 t0 -100.47 122.76 43.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -99.67 170.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 44.8 t-20 -101.73 104.89 15.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -83.63 -12.57 55.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.92 1.23 57.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 108.361 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.658 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -72.6 -60.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.658 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -93.3 3.09 56.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.655 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.08 51.49 2.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.655 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.95 1.02 8.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 1.1 m 72.72 19.13 4.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 2.7 tt0 86.06 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -99.81 -26.12 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.62 50.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.54 125.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 16.0 m -79.21 107.88 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 110.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 133.23 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.4 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.509 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 1.6 mt -128.12 71.43 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.05 120.09 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -131.93 -176.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -54.36 118.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 33.71 38.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.86 154.51 11.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.81 160.3 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 3.2 mm100 -135.13 167.17 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.827 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 13.5 p -154.86 86.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 477' ' ' ILE . 3.1 mm -70.79 114.08 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 175.78 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 16.8 mtp -83.31 151.71 63.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.8 3.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -146.54 -43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 490' ' ' ASN . 60.0 m-85 -108.58 170.53 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 0.814 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.32 179.29 9.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.31 -175.14 16.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.564 1.165 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.698 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -67.79 -33.66 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.629 0.84 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.698 ' CD2' HG13 ' A' ' 485' ' ' VAL . 64.4 m170 -108.02 -5.2 17.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.567 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.58 40.99 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -119.18 -2.86 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.412 HG23 ' OD1' ' A' ' 507' ' ' ASP . 1.7 m -97.33 124.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.71 ' H ' HG22 ' A' ' 509' ' ' ILE . 28.8 t-20 -66.06 145.59 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.8 t -40.67 161.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -177.21 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.453 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.3 OUTLIER -158.08 25.34 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.46 41.79 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 108.342 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.09 61.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 497' ' ' SER . 1.5 m -125.06 51.55 1.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 1.084 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 496' ' ' SER . 0.3 OUTLIER 159.62 70.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.28 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 23.9 p -47.32 103.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.957 ' C ' HD23 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -141.64 22.62 2.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 500' ' ' LEU . 15.0 m-70 -119.25 -53.65 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -12.87 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -167.16 171.98 42.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.591 1.182 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -116.26 113.01 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.7 OUTLIER -61.61 113.34 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.386 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.426 HD23 ' HD3' ' A' ' 508' ' ' LYS . 0.7 OUTLIER -100.17 131.44 46.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER -90.07 95.16 10.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.426 ' HD3' HD23 ' A' ' 506' ' ' LEU . 2.7 mmmt -91.5 156.67 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.71 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.0 OUTLIER -77.61 56.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.19 -56.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -145.24 -163.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.453 ' HB3' ' CG ' ' A' ' 493' ' ' GLU . 12.2 p90 -121.5 139.14 53.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.97 108.86 9.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 4.6 t -77.6 105.88 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -163.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 2.0 t -98.42 140.18 21.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.288 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.362 1.248 0 O-C-N 124.368 1.72 . . . . 0.0 110.939 179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.916 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.9 t0 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -103.08 156.05 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.18 77.06 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.5 mp0 -54.45 -20.95 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.572 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.9 OUTLIER -77.77 -20.34 53.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 108.346 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.448 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 47.2 t -96.86 -27.99 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -65.67 -78.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.78 30.81 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.37 81.04 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 424' ' ' GLU . 6.8 t30 -120.19 106.77 40.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.49 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -74.94 -30.96 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 98.7 m -48.83 -19.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.411 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.5 mm-40 69.15 -100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -132.17 37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.959 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -178.09 94.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 1.187 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.934 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.96 171.94 22.9 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -104.17 127.31 51.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 0.715 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.705 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -109.04 111.82 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.415 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -112.96 170.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 432' ' ' THR . 32.7 t-20 -108.24 136.52 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.69 163.85 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -70.79 122.84 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.26 -44.96 3.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 432' ' ' THR . 32.1 t -132.5 169.11 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.038 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.572 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 2.8 p90 -105.09 144.53 31.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.5 tt0 -107.77 144.77 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 11.8 t -143.52 125.52 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 430' ' ' ILE . 27.2 mt-30 -82.69 156.35 23.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.5 p -87.01 155.38 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 108.378 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.934 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -116.7 134.1 55.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.779 ' NE2' HD12 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 52.15 -98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -130.75 73.67 0.46 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.959 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -102.25 162.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.888 ' CG2' HG22 ' A' ' 451' ' ' ILE . 3.4 t -101.3 -124.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.477 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.04 157.58 11.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -22.57 14.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.434 1.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 17.8 mmt-85 -112.6 -6.23 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 88.1 56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.723 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.44 6.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.888 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.6 OUTLIER -106.04 147.34 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.05 120.99 40.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -98.54 169.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.537 ' N ' HG22 ' A' ' 453' ' ' VAL . 41.6 t-20 -100.87 101.68 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.561 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.3 pm0 -82.41 -10.5 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.3 OUTLIER -97.69 13.05 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -85.51 -59.19 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.648 ' N ' HG12 ' A' ' 457' ' ' VAL . 3.4 m -93.58 7.41 44.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.707 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -142.32 48.33 1.07 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.3 Cg_endo -75.01 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 96.0 m 72.11 21.25 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.5 OUTLIER 80.47 -176.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -67.68 -43.97 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 2.8 t70 -70.34 60.92 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 164.29 113.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -75.75 107.26 7.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.488 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.2 OUTLIER -68.43 147.33 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 1.045 . . . . 0.0 108.269 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 45.4 mt -138.01 90.16 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.66 120.75 13.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.227 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -124.07 -178.84 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -56.54 120.28 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 34.34 40.96 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.485 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.24 167.09 18.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 0.82 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.561 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.5 OUTLIER -141.13 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.769 ' NE2' ' H ' ' A' ' 476' ' ' CYS . 0.6 OUTLIER -133.31 176.19 8.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.769 ' H ' ' NE2' ' A' ' 475' ' ' GLN . 16.9 p -178.18 106.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 108.245 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 477' ' ' ILE . 7.4 mm -69.86 159.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -111.53 155.64 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.207 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 10.5 mtt -98.0 148.64 34.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -179.53 -35.56 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -112.6 171.01 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.77 -177.94 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.31 -177.72 23.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.48 -20.68 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 485' ' ' VAL . 4.4 m-70 -104.58 8.74 35.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 465' ' ' ALA . 63.0 m 42.69 31.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.577 ' OE2' HD13 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -125.39 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.4 t -89.25 102.68 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.204 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 491' ' ' THR . 3.0 p30 -64.13 90.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER 51.95 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 491' ' ' THR . 5.1 p-10 -78.08 -171.98 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 512' ' ' PHE . 2.2 mp0 -156.57 38.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.41 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -166.78 49.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.22 62.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.7 m -108.62 23.99 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 1.8 m -140.96 87.5 10.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.5 Cg_endo -75.07 -13.17 21.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 12.3 m 70.86 -54.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER 79.4 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.376 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -69.54 -4.88 20.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -73.0 -13.79 61.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.442 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 155.75 -165.83 32.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.476 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -126.38 142.6 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 4.1 m -87.25 122.04 30.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.31 131.2 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 3.5 t0 -93.68 90.44 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -94.37 147.24 23.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 509' ' ' ILE . 3.0 mp -80.36 53.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.63 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.13 -167.61 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.0 OUTLIER -118.89 145.04 46.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.36 116.3 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 512' ' ' PHE . 7.6 t -87.93 73.36 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.317 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.476 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -44.95 170.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.382 1.051 . . . . 0.0 110.237 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.75 140.01 21.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 108.265 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.442 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.0 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.43 1.752 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.472 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.8 t70 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.61 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -91.68 78.51 5.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.605 1.191 . . . . 0.0 109.275 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -54.72 -16.78 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -83.07 -20.83 34.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.4 t -97.82 -18.98 18.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -72.16 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.83 24.05 0.41 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.05 80.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.422 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.2 t30 -118.36 105.7 45.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.522 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.96 -41.47 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.0 m -46.65 -22.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 108.282 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 9.1 mt-10 77.39 -71.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 424' ' ' GLU . 23.2 m-70 -155.32 -42.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.518 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.872 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -93.94 81.96 4.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 175.46 176.63 43.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.569 1.168 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.86 121.17 44.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.756 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.25 115.1 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.768 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -116.6 169.85 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.2 t30 -107.25 137.15 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.57 167.98 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.2 mt -74.02 124.18 25.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.96 3.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.9 m -132.83 172.66 12.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.541 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 15.3 p90 -106.0 144.95 32.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -108.24 142.85 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 22.9 t -142.8 124.3 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.589 ' HG3' HD11 ' A' ' 430' ' ' ILE . 15.9 mt-30 -82.1 155.61 24.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.437 1.086 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 155.88 19.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.653 HD13 HE21 ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.42 127.27 53.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.653 HE21 HD13 ' A' ' 441' ' ' LEU . 0.6 OUTLIER 42.42 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 441' ' ' LEU . . . -120.97 73.8 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.872 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.2 m-85 -102.67 161.11 14.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.986 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.6 -122.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.793 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 78.96 155.74 9.21 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -23.1 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 42.9 mmm-85 -114.81 -2.24 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 85.87 61.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -154.33 21.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.986 HG22 ' CG2' ' A' ' 445' ' ' THR . 2.8 mp -125.66 144.68 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.45 123.16 40.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.9 OUTLIER -99.49 160.93 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.831 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.2 t-20 -101.09 91.5 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.529 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.7 pm0 -62.72 -12.01 21.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -0.48 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 108.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 454' ' ' ASN . 29.1 m -78.74 -30.47 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 -6.62 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.527 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -146.3 58.98 5.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.09 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 92.3 m 72.15 20.14 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.301 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 464' ' ' ASP . 0.4 OUTLIER 78.19 -157.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 110.239 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.03 -34.47 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.457 ' OD1' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -55.35 -25.82 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -112.49 123.15 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 15.6 m -69.87 110.44 4.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 147.76 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 468' ' ' LEU . 9.5 mt -154.95 80.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.39 127.1 30.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.397 1.061 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -122.95 179.0 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -62.84 123.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.608 1.193 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.65 28.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.49 156.75 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.84 148.5 38.92 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.586 1.179 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.43 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -134.39 154.89 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.547 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 24.5 p -138.82 124.7 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 477' ' ' ILE . 2.1 mm -78.21 113.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.73 -177.59 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 6.5 mmt -83.91 148.7 54.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 54.87 3.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -174.13 -41.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -103.73 121.23 42.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.61 0.829 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.588 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 3.6 tt0 -160.23 176.77 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.06 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 151.09 -162.11 29.33 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.581 1.176 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.792 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -57.24 -29.83 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.792 ' CD2' HG13 ' A' ' 485' ' ' VAL . 24.7 m170 -108.55 -12.47 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.666 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 77.57 12.7 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.435 ' HG2' ' NE2' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -124.6 28.33 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 77.6 t -108.66 130.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 491' ' ' THR . 19.5 t-20 -63.36 132.02 50.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 490' ' ' ASN . 4.5 t -39.42 160.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.06 170.39 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.54 30.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 53.5 m -107.54 -26.41 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.74 62.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.9 m -134.68 55.07 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 78.8 p -179.03 85.42 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -75.0 78.63 2.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.12 -3.34 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 500' ' ' LEU . 1.4 tp 46.28 -156.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.338 1.024 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.59 19.75 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -102.37 3.69 38.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 515' ' ' GLU . . . 171.77 172.33 37.66 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.584 1.178 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 26.1 mmt85 -125.06 113.85 18.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.3 114.18 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 108.352 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.6 136.15 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.8 83.82 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -85.08 159.42 20.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.85 64.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 172.42 -35.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -172.17 178.76 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -105.09 144.68 31.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -128.63 122.17 30.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 512' ' ' PHE . 16.9 t -91.96 98.93 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 108.299 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 3.2 pt-20 -83.13 -173.19 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 148.93 35.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo . . . . . 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.413 ' HB2' HD23 ' A' ' 433' ' ' LEU . 15.8 t70 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.826 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.6 p -87.86 150.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 31.7 t0 -85.76 76.62 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.824 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -59.29 -13.33 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -14.58 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.36 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.57 -13.03 12.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 413' ' ' VAL . 8.4 mt -73.32 -89.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -147.78 17.17 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.86 83.57 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.799 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.41 ' CG ' ' SG ' ' A' ' 429' ' ' CYS . 0.2 OUTLIER -116.79 108.3 44.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.51 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.06 -39.63 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 6.1 m -44.76 -24.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.251 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER 72.38 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 4.3 p80 -144.84 34.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.907 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 179.41 101.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.27 23.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -97.52 126.58 42.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.758 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -113.01 110.72 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.269 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.783 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -114.34 168.86 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 432' ' ' THR . 13.6 t30 -108.61 135.2 50.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.35 163.31 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.447 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.413 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.1 mt -71.92 122.54 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.36 -44.79 3.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.7 m -133.33 168.75 18.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.402 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 19.6 p90 -101.33 147.86 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.8 tt0 -113.3 145.36 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.9 t -142.69 125.99 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.364 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.676 ' HG3' HD11 ' A' ' 430' ' ' ILE . 29.2 mt-30 -82.83 154.7 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.449 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.6 m -85.58 165.84 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 1.085 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -149.32 143.59 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' A' ' 442' ' ' GLN . 0.0 OUTLIER 54.5 -98.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.54 72.15 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.592 1.182 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.907 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -102.25 159.73 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.929 HG23 HG22 ' A' ' 451' ' ' ILE . 1.4 t -104.06 -117.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.899 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 85.67 161.15 34.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . 0.436 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -75.08 -35.5 3.05 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.608 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -109.61 -5.22 15.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.374 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.608 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 2.4 t 96.62 71.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.84 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.3 pm0 -166.16 26.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 445' ' ' THR . 1.9 mp -130.18 145.97 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -98.7 129.42 45.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.406 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.2 OUTLIER -97.37 163.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 457' ' ' VAL . 35.9 t-20 -102.01 95.14 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 19.2 mp0 -60.72 -9.81 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -85.76 10.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 454' ' ' ASN . 24.2 m -86.22 -32.15 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 74.3 m -115.61 -2.15 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -145.73 57.99 4.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.08 -6.02 17.48 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.984 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 73.11 22.48 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' A' ' 488' ' ' GLU . 2.9 pt20 43.39 -147.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.9 m-80 -99.1 41.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.3 OUTLIER -136.92 25.74 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 179.2 145.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -82.36 109.33 16.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.84 146.2 50.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 108.291 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.1 mt -160.9 88.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.587 1.179 . . . . 0.0 109.22 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.61 138.84 57.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -125.86 -169.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.545 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -71.03 119.98 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.99 22.28 0.3 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.2 OUTLIER -168.5 153.23 6.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.753 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 9.4 p90 -124.06 161.15 26.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -140.83 136.97 32.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 466' ' ' THR . 14.3 p -128.15 112.43 14.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 477' ' ' ILE . 17.4 mm -79.42 119.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -177.42 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 11.2 mmt -85.21 148.01 49.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 54.64 3.71 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -147.46 -40.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -101.95 171.28 7.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.515 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -154.08 -176.95 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 105.43 -173.86 20.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.485 HG12 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -79.43 -24.21 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -99.45 -7.87 25.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.6 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 22.3 m 60.85 15.21 5.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.449 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -107.49 6.53 28.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.5 t -88.39 104.81 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.23 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 491' ' ' THR . 17.2 t-20 -67.14 143.31 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 490' ' ' ASN . 13.7 t -38.46 157.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.33 150.36 24.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -138.54 24.5 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.42 -10.53 55.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.67 -14.89 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.3 m -109.22 97.61 7.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 4.6 m 63.6 91.56 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.216 . . . . 0.0 110.023 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.03 -22.2 14.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 40.13 57.39 2.41 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 0.9 OUTLIER -87.57 161.84 17.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 32.1 m170 69.76 -58.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 109.646 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 500' ' ' LEU . 12.7 p30 -85.31 4.03 36.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . 172.5 178.88 42.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 116.9 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.77 114.4 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -103.01 131.35 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.24 92.62 7.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -96.98 165.68 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.27 -65.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -47.74 -69.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -160.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -104.71 144.76 31.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.89 117.13 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.16 97.72 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -66.63 -176.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.38 142.49 24.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.402 ' HG3' ' O ' ' A' ' 501' ' ' HIS . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.094 0 O-C-N 124.586 1.835 . . . . 0.0 111.029 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 16.6 t70 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.71 151.18 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 18.0 t0 -87.75 78.26 8.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.533 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mt-10 -55.05 -14.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.08 24.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 108.254 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 20.0 t -76.28 -30.58 57.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 418' ' ' LEU . 2.7 mt -46.84 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 176.01 33.08 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.96 89.53 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.44 118.2 66.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.382 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 438' ' ' CYS . 18.2 Cg_endo -74.92 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 71.9 m -59.76 -12.34 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 423' ' ' CYS . 2.3 mt-10 84.05 -66.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -161.03 -41.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.603 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -86.01 76.95 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.933 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 173.68 -179.02 45.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -114.79 131.72 56.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 0.82 . . . . 0.0 109.211 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -111.34 122.89 49.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 108.346 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.807 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -122.05 171.17 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 432' ' ' THR . 12.6 t30 -107.48 134.21 50.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -123.05 171.05 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.89 122.2 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.95 -44.67 3.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 6.3 m -132.59 174.47 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -104.46 146.14 29.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.193 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 430' ' ' ILE . 8.5 tt0 -113.88 150.69 33.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 3.5 t -144.18 125.37 14.6 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.807 ' HG3' HD11 ' A' ' 430' ' ' ILE . 44.3 mt-30 -70.81 149.51 46.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.9 m -82.5 158.45 23.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.933 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -119.19 104.43 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.554 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 69.29 -94.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 110.245 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -128.33 76.35 0.41 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.603 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -103.9 160.91 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.91 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.1 t -102.47 -121.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.786 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.44 162.63 37.28 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -30.64 6.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.633 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 31.2 mmm180 -116.67 -6.8 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.633 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.7 t 100.27 71.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.182 . . . . 0.0 108.301 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 1.025 ' C ' HD12 ' A' ' 451' ' ' ILE . 2.9 pm0 -163.03 21.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 1.025 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.8 mp -128.76 146.8 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 18.8 t70 -97.69 125.18 42.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.9 p -97.84 168.82 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.55 ' N ' HG22 ' A' ' 453' ' ' VAL . 34.6 t-20 -101.9 105.83 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.521 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.3 pm0 -85.82 -16.85 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.77 10.56 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -76.44 -57.2 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.614 ' N ' HG12 ' A' ' 457' ' ' VAL . 8.8 t -90.58 3.27 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.684 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.59 49.96 1.92 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.97 4.98 4.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.406 1.74 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 1.038 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 80.17 21.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 486' ' ' HIS . 28.1 mt-30 69.03 -112.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -137.11 13.4 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.386 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -118.37 43.65 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 169.83 149.69 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.0 m -97.71 108.95 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -70.39 133.29 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 108.359 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.8 mt -126.46 88.04 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.01 121.07 13.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.79 -171.33 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -73.27 123.31 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 40.83 25.91 0.13 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -166.64 154.11 9.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.1 OUTLIER -142.89 151.69 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' LEU . 6.4 pt20 -144.08 134.77 24.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.9 OUTLIER -109.71 126.47 53.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 477' ' ' ILE . 1.8 mp -87.49 109.7 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -109.71 -176.74 3.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 19.5 mmt -84.28 151.84 60.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.02 4.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.76 -43.58 0.03 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -108.88 170.47 8.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.686 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -157.29 -179.96 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.41 -163.22 12.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -36.85 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.495 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -107.5 9.9 29.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 98.4 m 41.22 50.41 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 509' ' ' ILE . 3.7 tp10 -126.73 0.65 6.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.651 1.219 . . . . 0.0 110.28 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.09 129.63 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 491' ' ' THR . 14.1 p30 -75.3 92.5 2.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.385 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 490' ' ' ASN . 89.0 m 53.59 168.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 491' ' ' THR . 0.6 OUTLIER -89.71 166.65 13.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 36.7 mp0 -148.82 30.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -140.47 31.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.24 -15.14 61.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -41.58 8.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.09 102.24 45.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.933 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.477 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.08 -12.67 21.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 77.4 m 70.98 -54.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.365 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER 78.96 -157.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -81.54 5.37 18.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.659 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.29 2.15 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 500' ' ' LEU . . . 175.0 159.74 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.475 ' HB3' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -116.04 113.77 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.1 OUTLIER -78.64 104.65 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.245 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' ' CD2' ' A' ' 512' ' ' PHE . 1.4 mp -78.29 144.17 36.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.614 ' CG ' HG21 ' A' ' 489' ' ' VAL . 14.1 t0 -105.25 81.67 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -82.98 161.68 21.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 488' ' ' GLU . 0.3 OUTLIER -82.38 71.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.4 OUTLIER 163.98 -40.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.5 175.43 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.238 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 494' ' ' CYS . 0.7 OUTLIER -104.22 145.23 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.32 108.89 10.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 5.1 t -75.98 106.38 7.54 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 504' ' ' ARG . 3.3 pt-20 -92.44 -162.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.54 142.2 24.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.359 1.104 0 O-C-N 124.536 1.809 . . . . 0.0 110.954 -179.982 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.462 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.6 t70 . . . . . 0 N--CA 1.454 -0.272 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.512 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.5 OUTLIER -90.54 155.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -87.99 77.14 8.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.699 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -58.44 -15.77 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.13 -19.03 44.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.7 t -104.27 -20.35 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -68.75 -81.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -160.46 25.23 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.35 77.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.414 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t30 -116.0 106.07 50.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.482 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.3 Cg_endo -74.99 -40.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 84.0 m -50.47 -18.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.306 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.7 mt-10 77.59 -75.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.699 ' CE1' HG21 ' A' ' 471' ' ' ILE . 1.5 p80 -143.04 -43.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.755 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -97.82 108.12 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.11 169.88 19.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -103.47 121.14 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.731 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.56 115.42 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 108.286 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.38 170.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.372 1.045 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 432' ' ' THR . 9.6 t30 -106.14 132.26 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -122.5 169.3 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.462 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.3 mt -76.94 121.39 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.231 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.02 -43.77 3.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 432' ' ' THR . 11.1 m -132.86 168.24 18.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -101.6 144.94 29.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.9 tt0 -108.62 144.6 36.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 19.0 t -142.26 125.35 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.743 ' HG3' HD11 ' A' ' 430' ' ' ILE . 5.8 mt-30 -86.69 160.64 18.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.8 m -84.24 174.64 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.649 HD22 ' O ' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -155.8 126.59 6.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 67.26 -98.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -142.18 71.21 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.755 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.5 m-85 -104.59 160.64 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.807 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.4 t -103.32 -121.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.754 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.13 155.61 19.48 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.27 9.28 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.396 1.735 . . . . 0.0 110.965 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.6 mmt180 -109.72 -6.63 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.0 OUTLIER 92.76 60.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 108.264 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -158.08 24.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.807 ' O ' ' N ' ' A' ' 445' ' ' THR . 32.8 mm -124.42 147.88 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.0 122.48 42.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.22 166.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.502 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 49.7 t-20 -102.24 109.45 21.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.2 pm0 -86.53 -19.49 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 3.0 p -87.13 8.34 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -73.64 -57.8 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.619 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -95.85 4.87 52.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.674 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.51 50.38 1.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -74.97 4.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 1.0 OUTLIER 73.31 20.1 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.369 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 488' ' ' GLU . 0.5 OUTLIER 78.12 -173.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.24 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -68.29 -42.45 79.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.9 t70 -73.63 64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 163.35 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.3 m -86.09 122.55 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -81.55 123.44 28.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.36 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.9 mt -123.19 79.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 120.9 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.5 -177.0 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.699 HG21 ' CE1' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -64.92 122.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.414 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.74 28.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.571 1.17 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -165.84 154.99 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.16 154.91 45.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.702 HE21 HD11 ' A' ' 477' ' ' ILE . 6.2 pt20 -143.82 134.42 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 17.7 p -115.97 133.46 56.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.328 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.702 HD11 HE21 ' A' ' 475' ' ' GLN . 10.9 mm -96.46 157.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.55 166.2 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 3.5 mmt -112.94 150.11 42.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.32 5.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -168.77 -40.67 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.577 1.173 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 34.1 m-85 -120.22 170.29 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.37 -179.06 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.64 -161.29 12.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.709 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -80.55 -34.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.709 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 9.8 m170 -107.4 -5.7 17.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.553 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.422 ' HA ' ' C ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 59.87 34.35 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.257 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 462' ' ' GLN . 40.2 tp10 -103.61 -3.58 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.981 ' HA ' HG22 ' A' ' 509' ' ' ILE . 0.7 OUTLIER -88.7 117.2 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.576 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 18.5 p30 -77.27 89.54 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.655 HG23 ' N ' ' A' ' 492' ' ' ASP . 0.7 OUTLIER 40.36 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.655 ' N ' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -72.48 175.76 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -134.5 27.81 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.01 32.98 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.632 1.208 . . . . 0.0 108.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.91 -14.08 61.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.2 m -95.31 -63.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.78 93.11 36.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.98 89.35 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.4 m -68.33 58.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -100.87 113.44 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.624 ' CG ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m170 157.14 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -102.52 4.28 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.361 1.038 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -140.39 157.75 25.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 517' ' ' PRO . 0.3 OUTLIER -119.86 113.33 20.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 514' ' ' CYS . 1.7 m -72.03 110.46 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.47 131.43 35.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.538 ' OD1' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -84.18 91.6 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -107.92 139.56 42.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.981 HG22 ' HA ' ' A' ' 489' ' ' VAL . 2.4 pp -48.39 108.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.461 ' CA ' ' OE1' ' A' ' 493' ' ' GLU . 23.0 m-20 54.49 58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 510' ' ' ASN . 2.1 mt-10 164.9 137.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.455 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 13.1 p90 -121.55 145.16 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.42 108.52 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 29.4 m -82.24 67.21 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.408 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.2 OUTLIER -68.09 -147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -98.7 142.47 24.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 504' ' ' ARG . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 11.6 t70 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -84.49 148.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 14.8 t0 -89.16 78.74 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.466 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mp0 -57.33 -10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -92.74 -18.08 23.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 108.338 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 9.1 t -83.14 -27.8 29.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.373 1.045 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 418' ' ' LEU . 5.2 mt -40.64 -50.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 143.51 -13.66 2.25 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -88.69 77.82 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.402 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.6 t30 -81.95 115.1 55.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.98 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.56 1.821 . . . . 0.0 111.068 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HB3' ' HA3' ' A' ' 427' ' ' GLY . 3.2 m -45.71 -20.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 425' ' ' HIS . 15.7 mt-10 85.89 -72.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 424' ' ' GLU . 60.6 m-70 -159.98 -40.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.477 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -95.77 81.73 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.551 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 172.6 172.66 38.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.65 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -110.38 140.21 44.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.749 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -116.52 108.62 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 108.286 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.762 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.2 171.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.2 t30 -105.16 137.45 42.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.493 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -128.02 173.75 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.48 122.52 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 80.86 -45.23 3.12 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.3 m -133.32 174.03 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.519 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 52.5 p90 -100.07 154.14 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 7.6 tt0 -114.88 149.51 37.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.65 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.0 t -137.99 134.05 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 430' ' ' ILE . 78.0 mt-30 -79.23 143.2 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.56 138.66 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 108.365 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.551 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -107.86 100.64 9.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 472' ' ' GLY . 0.0 OUTLIER 69.95 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -131.83 76.29 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 0.4 OUTLIER -102.4 161.26 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 111.083 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.016 ' CG2' HG22 ' A' ' 451' ' ' ILE . 5.0 t -104.58 -130.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.819 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.03 159.17 28.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 19.7 mmm180 -119.1 7.25 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 82.71 59.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 1.01 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.31 12.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 1.016 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -124.8 136.81 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 7.9 t0 -95.48 128.63 42.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 2.2 p -96.31 169.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.663 1.227 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 22.6 t-20 -101.57 104.18 15.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 10.8 pm0 -84.18 -14.34 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 7.4 t -90.52 6.97 41.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 108.349 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -77.36 -59.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 457' ' ' VAL . 13.6 m -96.34 5.29 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.681 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.5 50.27 2.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.92 3.05 5.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 486' ' ' HIS . 1.3 m 72.26 21.43 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.581 1.176 . . . . 0.0 108.373 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 13.1 mt-30 78.91 -156.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 463' ' ' ASN . 3.7 p30 -94.83 -16.3 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.79 45.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.31 124.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -68.41 109.46 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.03 129.76 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 108.236 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 13.4 mt -143.9 81.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.204 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 455' ' ' GLU . 5.2 t70 -67.35 127.08 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -117.19 -175.18 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.562 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.42 122.65 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 40.94 25.63 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -166.35 154.72 10.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.61 151.86 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.95 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.721 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -136.99 141.42 42.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 4.9 p -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.721 ' N ' HE22 ' A' ' 475' ' ' GLN . 2.7 mm -68.74 157.18 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.266 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.27 167.15 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 44.4 mtp -106.25 151.43 40.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 60.19 5.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.49 -39.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 482' ' ' TYR . 7.0 m-85 -125.04 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.863 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -146.01 -178.92 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.69 -154.77 17.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.093 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -78.95 -38.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.561 0.801 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.6 ' CD2' HG13 ' A' ' 485' ' ' VAL . 61.3 m170 -106.28 -0.31 24.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 m 52.23 51.85 15.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.61 1.194 . . . . 0.0 108.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -131.55 4.01 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.9 OUTLIER -89.89 129.79 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.628 1.205 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.4 p30 -67.95 91.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.4 OUTLIER 52.87 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 491' ' ' THR . 0.8 OUTLIER -82.26 162.95 22.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 512' ' ' PHE . 1.5 mp0 -143.46 28.66 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.5 t -87.84 -11.25 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.95 71.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 497' ' ' SER . 0.6 OUTLIER -86.89 109.43 19.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 496' ' ' SER . 62.1 p 38.57 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.408 ' C ' ' SG ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 503' ' ' GLY . 0.5 OUTLIER 43.14 58.58 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 502' ' ' ASN . 33.7 mt -63.9 144.77 56.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.409 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.7 m-70 69.85 -59.34 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.44 ' N ' ' O ' ' A' ' 500' ' ' LEU . 4.6 m120 -71.05 -6.44 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . -171.73 158.37 29.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -113.99 125.87 54.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.53 139.74 57.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 513' ' ' GLN . 4.8 tp -125.77 131.44 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.64 ' CG ' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -97.81 97.54 9.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -107.68 156.34 19.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.688 HG22 ' HA ' ' A' ' 489' ' ' VAL . 3.7 pt -88.3 65.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.87 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -171.22 -165.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -115.52 145.14 42.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -116.75 131.18 57.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 44.5 t -95.87 86.65 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 504' ' ' ARG . 2.8 mm-40 -48.95 165.18 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 p -111.9 134.22 21.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.359 1.085 0 O-C-N 124.523 1.802 . . . . 0.0 111.058 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 12.5 t70 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.23 158.22 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 417' ' ' SER . 45.6 t0 -89.03 79.69 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.53 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.2 mp0 -52.77 -17.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.426 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -85.89 -23.9 26.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 414' ' ' ASP . 25.5 t -74.06 -28.11 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 418' ' ' LEU . 0.9 OUTLIER -53.52 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -172.2 26.83 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.47 89.66 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.386 0.698 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.426 ' OD1' ' SG ' ' A' ' 416' ' ' CYS . 1.6 t30 -114.92 105.09 53.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 17.9 Cg_endo -75.1 -38.96 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.561 1.821 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 30.1 m -49.51 -19.98 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 108.358 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 5.8 mm-40 68.38 -108.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.527 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 0.7 OUTLIER -124.29 11.69 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 1.041 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -149.9 91.92 1.84 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.597 1.186 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.72 177.59 38.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.117 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.2 OUTLIER -117.73 111.43 19.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.384 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 115.34 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 108.317 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -117.2 169.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 432' ' ' THR . 7.1 t30 -105.03 134.29 48.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -123.82 171.9 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.31 122.35 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.61 -45.3 3.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.6 m -130.58 172.85 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -105.65 138.31 42.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 430' ' ' ILE . 7.8 tt0 -102.28 145.07 29.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.7 t -143.19 123.96 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 108.287 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 428' ' ' LYS . 26.9 mt-30 -78.28 159.21 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 158.36 15.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER -108.37 111.45 23.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 54.83 -103.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -109.43 69.78 0.21 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 1.041 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -100.54 158.36 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.353 0.678 . . . . 0.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.796 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -103.06 -124.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.801 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.92 157.69 14.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.82 9.74 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.819 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 10.1 mmt180 -107.43 -9.93 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.6 t 93.33 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -148.86 12.1 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.801 ' HB ' ' N ' ' A' ' 446' ' ' GLY . 5.9 mm -110.57 148.62 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -101.55 120.18 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.51 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.3 p -99.28 164.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.392 1.058 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.883 ' O ' HG22 ' A' ' 457' ' ' VAL . 62.2 t-20 -101.47 90.95 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.7 pm0 -61.48 -13.21 19.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -2.13 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 454' ' ' ASN . 19.4 m -83.38 -26.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 -4.74 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -149.26 58.76 3.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.91 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.593 1.838 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.38 18.29 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.355 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER 83.21 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -77.61 -38.15 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.5 OUTLIER -76.58 57.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.79 128.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 48.1 m -80.01 110.59 15.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 131.26 43.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 468' ' ' LEU . 6.2 mt -134.56 77.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . 0.402 ' HB2' ' OD1' ' A' ' 454' ' ' ASN . 8.7 t0 -65.14 133.45 51.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -137.87 -171.61 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.575 HG22 ' CB ' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -52.73 116.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 29.81 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 471' ' ' ILE . 22.1 tt0 -162.67 154.83 18.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.75 143.82 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 468' ' ' LEU . 10.6 pt20 -131.09 134.79 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 23.0 p -117.41 117.86 30.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.246 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 26.3 mm -81.58 141.05 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 47.4 m -101.25 151.08 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.374 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.8 151.7 55.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.13 3.77 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.505 1.792 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 174.48 -33.48 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -110.88 169.93 8.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.516 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -156.93 179.49 9.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.8 -168.56 12.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.488 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -106.22 11.31 31.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.626 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.1 m 42.38 50.75 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -128.26 2.22 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.392 1.058 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.86 129.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.421 ' HB2' HG23 ' A' ' 509' ' ' ILE . 13.5 t30 -73.19 129.61 38.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 493' ' ' GLU . 7.9 t -83.11 144.39 29.9 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.88 147.36 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -125.24 2.64 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 25.0 m -102.73 54.31 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 108.268 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.4 77.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' SER . 3.9 t -156.72 -138.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' SER . 0.4 OUTLIER 35.31 74.76 0.53 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 1.89 7.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 503' ' ' GLY . 2.7 m 56.46 40.2 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -49.58 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 82.6 -42.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.579 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.566 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 0.8 OUTLIER -67.92 -20.3 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.393 1.058 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . 144.61 -150.55 22.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -129.65 146.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 0.784 . . . . 0.0 110.257 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 42.7 t -91.77 133.3 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 108.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.58 135.25 55.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -99.4 96.19 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 510' ' ' ASN . 31.3 mtpt -99.25 138.74 35.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 509' ' ' ILE . 2.4 mp -63.43 79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.0 m-20 157.29 -39.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.06 170.83 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 493' ' ' GLU . 37.1 p90 -106.2 126.16 51.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.59 116.47 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 1.8 t -81.95 90.04 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 167.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.8 t -97.99 138.73 20.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.466 ' CG ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.4 t70 . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.664 HG22 HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.61 146.22 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.0 78.35 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -53.35 -19.41 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.445 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.4 OUTLIER -78.73 -23.43 45.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.5 t -98.52 -17.87 18.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.9 mt -76.11 -84.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -159.82 24.58 0.3 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.23 77.58 1.64 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.59 107.29 36.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.95 -32.7 5.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -41.91 -27.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.304 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 24.5 mt-10 85.34 -63.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.555 ' NE2' ' CG2' ' A' ' 471' ' ' ILE . 0.3 OUTLIER -161.13 -41.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.465 ' H ' ' CD2' ' A' ' 425' ' ' HIS . . . -106.32 105.4 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 160.78 164.13 15.15 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.623 1.202 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 430' ' ' ILE . 3.0 ttmt -92.78 129.3 38.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 0.695 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.789 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -118.64 121.75 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 108.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.789 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -120.26 169.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.9 t30 -109.3 136.39 48.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 0.0 109.229 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.46 170.42 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.348 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.25 123.1 25.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.38 -44.72 3.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.8 t -133.17 173.76 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.415 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 24.6 p90 -106.82 161.27 14.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -125.66 143.92 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 450' ' ' GLU . 46.1 t -142.25 125.06 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 12.7 mt-30 -86.46 148.8 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 1.8 p -86.87 171.24 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 108.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.79 149.46 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.609 ' NE2' HD23 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 53.85 -100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -140.01 75.1 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.655 ' CE1' HD11 ' A' ' 441' ' ' LEU . 1.9 m-85 -103.16 161.67 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.932 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.45 -122.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.46 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.799 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 77.97 155.05 7.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -75.15 -21.51 15.52 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 16.2 mmt-85 -112.94 -8.55 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 90.73 56.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -149.46 16.78 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.932 HG22 ' CG2' ' A' ' 445' ' ' THR . 3.2 mp -120.34 146.07 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 14.5 t70 -98.97 124.6 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -98.5 165.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 1.6 t-20 -98.11 134.81 40.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.487 ' OE2' ' N ' ' A' ' 455' ' ' GLU . 2.4 pm0 -120.15 -8.51 9.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.8 p -105.75 3.91 29.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 108.191 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -78.94 -52.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.5 OUTLIER -98.93 -0.86 41.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -139.07 54.76 6.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.07 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.592 1.838 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 462' ' ' GLN . 9.6 m 80.36 1.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.58 ' O ' ' O ' ' A' ' 461' ' ' CYS . 1.6 pp0? 34.29 -162.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 0.0 OUTLIER 79.56 -40.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.5 OUTLIER 150.75 -19.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.234 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.502 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -40.49 136.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.2 m -82.8 109.2 16.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.478 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.0 OUTLIER -69.14 121.75 17.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 467' ' ' CYS . 14.1 mt -125.45 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.62 121.44 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.03 -179.05 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -69.91 117.58 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.14 1.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 470' ' ' GLN . 17.7 pt-20 -164.81 154.2 13.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -142.84 155.06 44.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.531 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.6 OUTLIER -144.6 138.35 27.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.483 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 25.8 p -117.82 122.52 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.254 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.531 ' N ' HE22 ' A' ' 475' ' ' GLN . 1.1 mm -85.5 110.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.07 169.25 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.379 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 28.1 mmt -83.1 151.35 63.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.06 4.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.28 -43.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -99.31 166.98 10.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 111.029 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.3 OUTLIER -158.02 178.32 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 110.61 -174.45 17.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.591 1.182 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.673 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -69.84 -37.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.5 0.764 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.673 ' CD2' HG13 ' A' ' 485' ' ' VAL . 64.8 m170 -108.04 15.03 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.431 ' HB3' ' ND2' ' A' ' 463' ' ' ASN . 1.8 t 42.14 43.23 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.383 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.52 0.02 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.89 127.69 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.41 ' CG ' ' OD1' ' A' ' 507' ' ' ASP . 36.0 t-20 -73.61 124.28 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 23.5 m -58.07 129.19 40.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -100.59 137.29 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -126.3 8.37 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.1 p -132.89 39.23 3.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.208 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.54 -23.23 66.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.18 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.1 t -134.5 53.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.3 m -167.24 70.21 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 1.02 8.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.6 OUTLIER 67.65 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 108.256 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 502' ' ' ASN . 13.6 mt 61.58 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.6 m-70 69.36 -58.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.4 OUTLIER -75.71 -20.48 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.502 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 148.94 -156.97 27.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -129.44 144.52 51.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 110.234 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.72 129.68 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 1.0 OUTLIER -114.98 133.95 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.41 ' OD1' ' CG ' ' A' ' 490' ' ' ASN . 33.6 t70 -89.01 102.01 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 164.53 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 3.8 mt -83.55 66.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.393 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 6.5 t30 160.9 -39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.375 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -161.87 -170.12 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 512' ' ' PHE . 12.4 p90 -122.27 129.71 52.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.72 114.54 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -70.9 88.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 108.304 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 504' ' ' ARG . 0.7 OUTLIER -51.43 176.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -96.41 139.48 21.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.382 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.502 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.21 0 O-C-N 124.43 1.753 . . . . 0.0 110.978 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.6 t70 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.64 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 417' ' ' SER . 12.6 t0 -90.07 78.74 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -54.27 -16.56 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.5 t -85.51 -23.61 27.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.35 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 414' ' ' ASP . 17.2 t -76.84 -32.52 57.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.372 1.045 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -64.23 -69.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -177.78 38.88 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.99 76.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 105.23 57.05 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -75.0 -37.21 2.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.412 ' CB ' ' HA3' ' A' ' 427' ' ' GLY . 0.0 OUTLIER -69.93 -3.34 15.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.123 . . . . 0.0 108.226 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 65.42 -100.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -118.5 -32.92 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.487 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -103.18 108.05 19.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 423' ' ' CYS . . . 148.17 165.95 12.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.422 1.076 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.801 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -96.65 137.99 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.767 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -129.43 120.44 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.801 HD12 ' HE3' ' A' ' 428' ' ' LYS . 0.0 OUTLIER -121.93 169.29 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 432' ' ' THR . 5.3 t30 -101.43 130.18 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.447 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -118.63 172.22 7.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.75 121.81 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.5 -44.75 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.365 1.041 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 14.4 m -132.16 174.88 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 415' ' ' GLU . 12.7 p90 -102.71 153.82 19.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.7 tt0 -115.62 147.23 41.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 8.4 t -142.11 129.67 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 24.2 mt-30 -88.28 154.19 20.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.4 m -84.17 164.58 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 1.092 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -150.3 138.84 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.512 ' HG2' ' CD2' ' A' ' 441' ' ' LEU . 2.6 mm-40 60.51 -96.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.25 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -144.36 71.51 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.844 ' CE1' HD11 ' A' ' 441' ' ' LEU . 2.5 m-85 -103.37 158.46 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.947 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -105.88 -117.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.884 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.0 157.55 29.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.408 1.068 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -25.1 12.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 30.1 mmm180 -118.05 -6.52 10.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.2 t 96.57 68.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 108.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.925 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.1 pm0 -166.19 27.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.179 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.947 HG22 HG23 ' A' ' 445' ' ' THR . 1.8 mp -131.21 147.02 32.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.68 128.75 43.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.554 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.77 163.3 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.871 ' ND2' HG23 ' A' ' 457' ' ' VAL . 44.3 t-20 -82.69 105.28 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 0.5 OUTLIER -79.47 -18.16 52.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -97.38 19.06 13.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 108.278 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.871 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.6 OUTLIER -90.29 -57.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.625 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -93.51 2.83 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.91 52.59 3.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.9 OUTLIER 72.04 21.26 4.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.7 OUTLIER 81.95 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -80.71 -34.36 34.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.6 t70 -80.78 59.01 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 173.07 130.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.8 m -83.41 111.16 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -76.19 141.45 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 467' ' ' CYS . 12.6 mt -140.81 96.42 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.76 120.81 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -111.04 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.567 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.7 OUTLIER -75.79 112.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 53.61 18.33 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 7.1 pt-20 -165.05 159.84 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 459' ' ' ASN . 8.8 p90 -133.08 160.77 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.02 134.66 24.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 1.6 p -117.43 143.73 45.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 477' ' ' ILE . 3.0 mm -96.85 141.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 80.5 m -101.49 147.42 26.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 108.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.02 152.51 42.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 83.23 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 172.86 -31.62 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 21.5 m-85 -121.57 171.13 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 0.82 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -144.91 -177.51 5.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 106.01 -177.56 22.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.62 -19.95 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 485' ' ' VAL . 18.3 m170 -107.55 9.34 29.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 3.3 m 43.37 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -117.49 5.62 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 507' ' ' ASP . 2.9 t -89.15 102.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 1.5 p30 -64.44 90.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 52.63 165.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.4 ' OD2' ' SG ' ' A' ' 494' ' ' CYS . 24.2 t70 -84.35 143.83 29.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -5.52 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.4 ' SG ' ' OD2' ' A' ' 492' ' ' ASP . 1.5 p -118.44 38.32 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.9 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -75.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.92 104.54 18.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 505' ' ' CYS . 18.3 Cg_endo -75.03 -6.19 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER 39.97 57.48 2.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.39 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 502' ' ' ASN . 1.3 pt? -75.58 161.1 29.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.4 m-70 69.39 -59.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.666 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.9 t30 -81.31 -7.49 59.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.04 47.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.26 112.97 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER -76.02 121.37 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.2 mp -98.01 131.26 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.659 ' CG ' HG11 ' A' ' 489' ' ' VAL . 6.4 t0 -86.89 95.95 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -103.06 148.3 25.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 488' ' ' GLU . 1.6 pt -82.02 63.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.01 -35.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -163.64 -161.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 512' ' ' PHE . 2.3 p90 -130.37 145.02 51.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.075 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.1 OUTLIER -123.23 114.32 20.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.335 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 49.7 t -93.12 69.42 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.229 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.12 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 110.176 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.56 148.63 34.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 108.259 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.171 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.499 ' CG2' HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -82.98 147.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.45 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 21.9 t0 -91.79 78.44 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.84 -18.81 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.45 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -82.76 -15.75 50.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 108.279 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -109.79 -10.69 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.939 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.7 mt -73.86 -90.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.458 1.099 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.76 1.05 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.78 89.54 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -111.74 104.5 56.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.14 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.614 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.6 Cg_endo -74.96 -37.79 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.42 1.747 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.0 m -44.45 -24.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 6.7 mt-10 76.01 -70.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -151.95 -44.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.44 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -105.48 100.19 9.78 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.699 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 163.88 169.29 27.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.682 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -102.31 137.79 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 0.717 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.879 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.66 119.11 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.85 169.11 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 20.5 t30 -108.94 134.87 51.03 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -125.99 163.86 22.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.381 1.05 . . . . 0.0 110.348 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.14 123.58 23.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.64 -45.09 3.33 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 432' ' ' THR . 13.4 t -133.22 170.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.614 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -104.6 155.02 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -120.31 143.23 48.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 1.9 t -143.44 126.37 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 430' ' ' ILE . 38.2 mt-30 -79.56 160.31 26.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.34 146.0 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.699 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -105.65 114.6 28.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.681 ' NE2' HD12 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 68.48 -93.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -135.56 77.27 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.594 1.184 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.8 m-85 -102.85 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.055 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.7 t -101.17 -123.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.832 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.46 165.65 39.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.055 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 5.2 mmt180 -113.33 0.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.7 OUTLIER 92.82 68.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 108.369 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.748 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.3 OUTLIER -157.23 17.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 1.055 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.9 mp -127.27 144.12 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 4.4 t0 -93.09 131.8 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.516 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.23 157.29 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.963 ' O ' HG22 ' A' ' 457' ' ' VAL . 51.1 t30 -102.41 88.57 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 10.4 mp0 -55.58 -17.48 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.419 ' HB3' ' OD1' ' A' ' 454' ' ' ASN . 51.2 t -70.35 -6.38 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 108.368 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.963 HG22 ' O ' ' A' ' 454' ' ' ASN . 12.6 m -89.17 -23.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.347 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 28.2 m -118.71 -2.82 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -154.99 60.77 2.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.02 -7.08 18.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.454 1.765 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.933 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.53 22.86 2.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 2.0 pt20 47.9 -147.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.6 m-80 -102.34 42.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 19.8 m-20 -145.45 42.22 1.26 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 168.18 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.5 m -69.51 108.59 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 146.31 44.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.2 mt -159.6 87.16 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.69 145.14 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -135.02 -172.68 3.11 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.69 120.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.68 24.13 0.14 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.115 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.24 154.35 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 455' ' ' GLU . 13.1 p90 -127.9 158.34 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.582 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -140.35 147.34 39.69 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.432 1.083 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 466' ' ' THR . 8.3 p -138.99 126.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.582 ' N ' HE22 ' A' ' 475' ' ' GLN . 4.9 mm -85.53 115.64 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -175.93 3.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 35.9 mtt -87.53 148.83 45.12 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.612 1.195 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.62 3.7 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -145.53 -42.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -104.55 171.19 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.989 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.552 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 1.7 tt0 -155.23 -175.5 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 108.3 -178.12 21.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.614 1.196 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.516 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -72.53 -23.94 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.428 0.722 . . . . 0.0 109.363 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.516 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 45.2 m170 -104.65 3.81 32.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.564 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.8 m 49.5 23.67 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.449 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -114.94 7.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.359 1.037 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.3 t -88.51 116.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.603 1.189 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 509' ' ' ILE . 27.8 t-20 -67.11 143.71 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 490' ' ' ASN . 1.6 m -37.55 157.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 170.76 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.38 20.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 4.6 p -107.85 35.94 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.242 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.59 -17.13 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -69.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.47 96.26 39.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.33 10.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.69 74.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 108.203 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 502' ' ' ASN . 70.5 mt -95.23 162.97 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.8 m-70 69.14 -59.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.1 OUTLIER -84.67 -2.77 57.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -173.35 171.14 44.26 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -129.24 114.15 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 110.385 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.6 OUTLIER -74.0 121.24 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 508' ' ' LYS . 0.9 OUTLIER -100.35 131.76 46.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 490' ' ' ASN . 3.3 t0 -95.95 90.17 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' A' ' 506' ' ' LEU . 15.6 mmtt -85.82 153.03 22.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.5 pp -69.81 62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.608 1.192 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.4 t30 170.99 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 179.11 6.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.08 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -105.49 145.0 31.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.11 117.43 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.47 104.36 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.0 OUTLIER -90.84 -150.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -98.4 148.44 34.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.167 0 O-C-N 124.401 1.737 . . . . 0.0 111.035 179.97 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 14.9 t70 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.59 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 417' ' ' SER . 21.1 t0 -91.25 79.64 5.66 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.4 mp0 -52.9 -18.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.2 t -84.19 -21.68 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 414' ' ' ASP . 9.3 t -82.17 -29.71 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -65.33 -70.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -176.25 34.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -127.23 75.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.18 104.2 52.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.488 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.99 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.611 1.848 . . . . 0.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 57.5 m -49.72 -18.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.233 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.488 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.7 mt-10 73.9 -63.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -166.32 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.975 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -88.88 74.68 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.779 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 177.95 171.9 41.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.0 126.82 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.804 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -118.97 122.03 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.22 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.25 169.5 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 432' ' ' THR . 8.4 t30 -102.39 133.72 46.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.492 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -122.99 172.21 8.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.0 122.52 25.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.8 -44.79 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 7.1 m -132.79 173.32 11.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -102.25 152.23 21.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -113.94 144.5 42.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 24.0 t -143.71 124.93 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 430' ' ' ILE . 9.0 mt-30 -85.86 158.29 19.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 6.8 m -82.68 156.1 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.779 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -112.08 100.2 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 15.0 mm-40 66.97 -99.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -116.65 69.0 0.29 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.975 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.1 m-85 -101.86 159.38 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.775 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -104.14 -123.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.758 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.51 156.74 23.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -28.65 8.94 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.582 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 48.3 mmm-85 -110.01 -8.95 14.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.1 t 95.84 61.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.708 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -156.31 21.68 0.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.625 1.203 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 445' ' ' THR . 27.8 mm -121.6 148.46 25.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.57 121.87 42.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.88 167.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.64 ' ND2' HG23 ' A' ' 457' ' ' VAL . 54.3 t-20 -102.06 108.61 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.4 pm0 -85.74 -17.84 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.17 . . . . 0.0 110.219 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.5 p -90.35 6.81 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.64 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -75.48 -58.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.635 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.0 OUTLIER -98.06 4.76 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.029 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -139.8 51.4 2.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -74.98 8.96 2.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 462' ' ' GLN . 0.8 OUTLIER 75.1 2.06 3.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.626 ' O ' ' O ' ' A' ' 461' ' ' CYS . 2.1 pp0? 34.61 -164.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 77.36 -44.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.9 OUTLIER 152.06 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.208 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.601 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -38.39 147.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.4 m -87.19 115.08 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 116.75 15.97 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.523 ' HA ' HD23 ' A' ' 468' ' ' LEU . 4.2 mt -116.16 82.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.203 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 119.39 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -118.12 -174.68 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.428 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -67.36 121.05 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 39.24 28.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 471' ' ' ILE . 3.9 pt-20 -165.18 152.71 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -144.03 157.08 44.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.472 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.0 pt20 -143.5 138.22 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.157 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.73 120.28 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 35.6 mm -80.13 138.31 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 67.9 m -101.88 148.33 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 482' ' ' TYR . 2.7 ptt? -83.73 151.96 62.26 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.22 5.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.491 1.785 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.04 -41.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.401 ' CD1' ' HE3' ' A' ' 479' ' ' MET . 48.6 m-85 -117.92 170.74 8.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.0 OUTLIER -145.25 -179.26 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 483' ' ' GLU . . . 109.94 -165.58 12.37 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.428 1.08 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER -77.2 -36.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.507 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -108.94 13.51 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.637 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 486' ' ' HIS . 0.0 OUTLIER 41.31 49.93 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 108.268 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 13.1 tt0 -118.63 -4.17 10.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -89.21 121.83 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.9 p30 -64.49 91.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 492' ' ' ASP . 66.4 m 50.16 174.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 491' ' ' THR . 1.4 t70 -95.83 149.95 20.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 493' ' ' GLU . 12.4 pm0 -139.18 21.1 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 1.059 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 497' ' ' SER . 0.5 OUTLIER -129.39 30.35 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 108.339 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . 0.513 ' HB2' ' OD1' ' A' ' 492' ' ' ASP . . . -74.15 -15.97 61.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 2.6 m -81.92 -67.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.417 ' O ' ' SG ' ' A' ' 494' ' ' CYS . 1.0 OUTLIER -114.56 97.78 47.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.6 Cg_endo -75.02 -3.99 14.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.403 1.739 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 39.61 62.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.343 1.027 . . . . 0.0 108.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.64 HD22 ' C ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -89.01 162.61 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.627 ' CG ' HD22 ' A' ' 500' ' ' LEU . 28.2 m170 68.63 -59.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.5 m120 -69.61 -7.66 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.491 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 156.13 -162.92 31.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 515' ' ' GLU . 7.0 ttt180 -130.15 142.13 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 0.825 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.16 118.72 34.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 4.7 mp -92.93 131.54 37.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.455 ' HB3' HG21 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -89.0 91.31 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -89.75 164.48 14.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.0 pt -72.61 -23.92 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -85.87 -51.01 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.32 -152.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 53.7 p90 -124.08 143.81 50.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.02 130.25 39.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 31.6 m -90.11 82.15 6.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 504' ' ' ARG . 3.1 pt-20 -53.69 171.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.6 p -97.33 135.67 21.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.267 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.491 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 20.4 t70 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -85.21 151.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 56.3 t0 -92.28 77.7 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -55.85 -17.53 6.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -82.05 -16.92 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.9 t -103.88 -23.51 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -65.0 -79.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -169.53 29.12 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.18 79.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 0.823 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -111.01 104.48 56.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -75.1 -27.03 10.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -73.85 47.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 108.281 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 423' ' ' CYS . 9.6 mm-40 27.24 -107.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -132.17 8.11 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.4 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -137.11 80.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . -179.82 -173.56 44.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -111.32 134.74 52.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.724 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -125.1 110.3 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.777 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.87 169.14 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.3 t30 -107.33 136.3 47.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.403 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.464 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.73 170.83 12.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.449 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.73 123.04 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.71 -44.81 3.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 432' ' ' THR . 9.0 t -133.34 172.9 12.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.494 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 10.6 p90 -105.27 152.52 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.6 tt0 -111.85 145.21 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 6.0 t -141.82 125.56 16.96 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.168 . . . . 0.0 108.396 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.615 ' HG3' HD11 ' A' ' 430' ' ' ILE . 35.8 mt-30 -84.37 153.89 23.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 6.1 m -83.52 148.13 27.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -106.43 104.15 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.538 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 68.14 -93.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.21 75.0 0.42 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.968 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.8 t -103.35 -122.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.088 . . . . 0.0 110.358 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.93 161.5 32.37 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.33 5.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 29.3 mmt-85 -110.64 -8.63 14.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.8 t 98.43 65.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.955 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.8 OUTLIER -156.84 19.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.968 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -123.55 145.9 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.22 122.18 39.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.0 OUTLIER -99.12 166.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 457' ' ' VAL . 58.5 t-20 -102.18 98.94 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.512 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.6 pm0 -73.82 -2.69 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 2.5 t -89.24 3.28 52.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 454' ' ' ASN . 5.1 m -77.85 -31.06 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 14.6 m -106.29 -10.06 16.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.544 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.3 OUTLIER -138.03 58.04 14.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -75.01 -6.27 17.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.49 22.79 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.253 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 463' ' ' ASN . 0.8 OUTLIER -46.62 127.47 9.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.586 ' CB ' ' O ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER 148.34 -20.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 3.2 m-20 152.14 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -70.98 160.56 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.1 m -105.27 110.12 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.35 150.5 18.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.4 mt -160.99 86.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.45 132.81 43.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.459 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -121.38 -177.03 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.573 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.29 126.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.94 27.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.72 166.56 17.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 0.715 . . . . 0.0 110.318 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.408 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.0 OUTLIER -141.67 155.58 45.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 466' ' ' THR . 16.5 p -148.79 126.53 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 39.5 mm -81.25 110.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.38 166.64 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 5.0 mmt -94.77 155.29 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.88 3.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -177.52 -34.7 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -94.02 171.59 8.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.459 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -154.45 179.52 8.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.528 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 111.21 179.91 20.07 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.66 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -79.74 -25.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.25 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.66 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 8.0 m80 -107.98 -4.23 18.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.556 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 59.4 m 71.64 6.01 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -92.0 17.09 9.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.218 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.528 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.5 t -110.38 105.27 18.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.441 ' CB ' ' HA ' ' A' ' 509' ' ' ILE . 22.9 t-20 -66.23 142.56 57.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 4.2 m -39.43 154.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 148.64 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.34 26.73 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 498' ' ' PRO . 32.1 t -84.96 0.87 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.46 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 -54.61 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.401 1.063 . . . . 0.0 109.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 105.68 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.405 ' HA ' ' SG ' ' A' ' 494' ' ' CYS . 18.5 Cg_endo -74.94 -24.42 12.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.399 1.736 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.2 m 48.42 75.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.346 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -111.19 118.2 35.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.554 ' HB3' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.19 -45.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.99 -17.0 64.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.486 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 158.31 -160.31 30.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.94 140.59 52.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 0.774 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.98 118.2 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 108.265 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 5.1 mp -99.16 151.6 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.35 89.59 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.74 156.85 23.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -73.45 71.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.9 m-20 156.42 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -159.13 -173.92 4.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 20.1 p90 -114.55 144.32 43.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.395 1.059 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.83 108.85 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.97 82.41 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.02 167.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.2 138.07 20.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.262 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.486 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.917 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.7 t70 . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.26 -0.644 . . . . 0.0 109.26 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.89 153.58 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 417' ' ' SER . 10.0 t0 -90.59 82.46 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -50.76 -20.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.4 t -81.85 -22.58 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 414' ' ' ASP . 6.1 t -86.97 -25.92 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -68.41 -81.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.19 25.52 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.43 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.377 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -116.61 106.82 47.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.494 ' CG ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.04 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 3.4 m -46.85 -22.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.8 mt-10 66.81 -90.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.403 ' CE1' ' CG2' ' A' ' 471' ' ' ILE . 2.4 p80 -128.26 -39.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.594 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.832 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -109.69 108.74 19.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.16 153.65 6.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -85.89 136.11 33.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.778 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -128.88 121.86 29.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.57 168.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -105.6 129.76 53.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -120.04 171.92 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.133 . . . . 0.0 110.494 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.42 122.17 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.94 -44.46 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.405 ' O ' ' OG1' ' A' ' 432' ' ' THR . 12.6 t -132.3 174.59 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.4 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 22.4 p90 -108.0 147.8 30.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.0 tt0 -107.42 145.62 32.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.479 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 27.0 t -142.87 127.75 18.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 108.197 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.6 ' HG3' HD11 ' A' ' 430' ' ' ILE . 25.1 mt-30 -89.39 150.0 22.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.238 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.7 m -84.73 171.16 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -154.08 128.56 9.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.6 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -148.58 77.67 0.24 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.395 1.06 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.832 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.4 m-85 -104.11 161.77 13.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.943 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -102.56 -120.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.836 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.75 161.95 34.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . 0.487 ' CD ' HD13 ' A' ' 451' ' ' ILE . 18.1 Cg_endo -75.07 -32.3 5.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -112.98 -7.33 13.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.629 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 99.05 69.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.2 pm0 -162.48 23.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.943 HG22 HG23 ' A' ' 445' ' ' THR . 2.2 mp -128.79 146.52 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -95.66 128.79 42.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.566 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.72 158.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.765 ' ND2' HG23 ' A' ' 457' ' ' VAL . 41.6 t-20 -79.16 106.0 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -79.3 -19.55 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.5 OUTLIER -97.82 23.22 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 108.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.765 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -93.98 -57.17 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.615 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -94.17 4.13 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.87 50.76 2.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.0 1.51 7.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.069 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.54 21.92 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 108.344 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.4 tt0 87.83 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -101.61 -27.22 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.5 OUTLIER -92.77 62.26 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 170.99 137.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 32.9 m -76.92 154.56 33.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.183 . . . . 0.0 110.443 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.1 OUTLIER -124.95 128.21 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 467' ' ' CYS . 31.4 mt -126.08 102.81 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.11 121.2 22.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.6 -172.89 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.83 117.05 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.63 23.34 0.33 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.5 154.81 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.766 . . . . 0.0 110.322 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.663 ' CE2' ' O ' ' A' ' 459' ' ' ASN . 0.7 OUTLIER -141.14 162.0 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.448 HE21 HD11 ' A' ' 477' ' ' ILE . 6.1 pt20 -140.14 133.16 29.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 466' ' ' THR . 18.3 p -113.14 136.9 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.448 HD11 HE21 ' A' ' 475' ' ' GLN . 41.7 mm -93.53 119.43 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 7.4 m -101.73 164.12 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.287 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.7 mtp -84.69 152.83 60.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.53 5.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -158.72 -40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.414 ' HE2' HG23 ' A' ' 509' ' ' ILE . 40.5 m-85 -116.87 171.41 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -152.37 -176.11 5.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 110.6 -176.45 18.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -22.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.0 OUTLIER -107.04 7.33 29.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.561 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 58.2 m 45.74 31.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.38 10.29 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.365 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.9 t -89.35 109.93 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.534 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.4 OUTLIER -64.22 131.6 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.432 HG23 ' OE2' ' A' ' 493' ' ' GLU . 8.8 t -40.36 159.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.412 ' HA ' ' OD1' ' A' ' 507' ' ' ASP . 0.4 OUTLIER -78.07 151.75 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.1 mp0 -141.01 13.2 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.7 t -84.89 -25.25 28.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.99 -14.84 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -56.61 2.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.07 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.597 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -119.62 83.75 28.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.561 1.821 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.9 OUTLIER -64.18 94.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.276 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 500' ' ' LEU . 0.2 OUTLIER -126.77 154.13 44.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 517' ' ' PRO . 2.9 m-70 69.53 -56.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.646 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 22.2 m120 -84.05 -20.78 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.402 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -168.05 -167.81 29.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.17 139.6 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 0.705 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.53 109.51 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.605 HD22 ' CD ' ' A' ' 515' ' ' GLU . 6.2 tp -103.18 131.68 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.352 1.033 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 0.6 OUTLIER -102.08 88.29 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -86.29 174.51 9.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.464 ' CG1' ' ND2' ' A' ' 490' ' ' ASN . 1.1 mp -91.89 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 1.0 OUTLIER 159.26 -44.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.33 -177.52 5.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.597 ' CD2' ' OG ' ' A' ' 497' ' ' SER . 16.1 p90 -107.16 145.31 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -123.5 134.11 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.227 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 56.0 m -86.1 93.6 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.233 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.605 ' CD ' HD22 ' A' ' 506' ' ' LEU . 0.6 OUTLIER -70.72 -161.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.52 146.64 31.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.503 ' CB ' ' O ' ' A' ' 501' ' ' HIS . 18.7 Cg_endo . . . . . 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.4 HG12 ' OE2' ' A' ' 415' ' ' GLU . 0.4 OUTLIER -89.78 155.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 417' ' ' SER . 18.5 t0 -85.79 78.58 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -53.97 -17.28 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.7 t -85.08 -18.9 32.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.4 t -87.35 -28.19 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -64.81 -72.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -174.2 32.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.74 75.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -105.91 105.86 54.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -74.99 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.508 1.793 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 5.1 m -48.43 -19.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.283 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 72.91 -57.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 426' ' ' ALA . 0.3 OUTLIER -162.54 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.977 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -102.35 108.63 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.41 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 148.64 165.39 12.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.424 1.078 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.708 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -93.44 138.66 31.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.713 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -127.43 121.27 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.713 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.12 169.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 431' ' ' ASN . 5.7 t30 -102.29 126.66 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -115.75 170.59 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.43 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.94 121.03 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.08 -45.46 3.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.453 ' HA ' ' OE1' ' A' ' 415' ' ' GLU . 8.7 m -132.47 171.94 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.935 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.2 p90 -98.13 155.77 16.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.8 tt0 -119.91 146.24 45.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 1.4 t -142.08 130.42 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 108.315 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 430' ' ' ILE . 30.4 mt-30 -86.88 158.92 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.5 172.06 12.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -158.16 119.76 3.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 70.12 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.06 73.29 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.977 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -104.38 160.84 14.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.6 t -102.89 -125.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.681 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.11 163.03 38.4 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.416 1.072 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -32.93 4.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.508 ' C ' ' OE2' ' A' ' 450' ' ' GLU . 18.7 mmt-85 -119.66 9.18 11.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 85.69 65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.758 ' O ' HD13 ' A' ' 451' ' ' ILE . 14.3 pm0 -153.77 19.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.566 1.166 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' A' ' 445' ' ' THR . 36.5 mm -127.54 147.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 5.4 t0 -101.17 122.05 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.513 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.7 166.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.685 ' ND2' HG23 ' A' ' 457' ' ' VAL . 45.0 t-20 -101.85 110.19 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.513 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.2 pm0 -84.74 -19.98 31.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.7 p -92.82 14.63 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 108.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.685 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.7 OUTLIER -81.64 -58.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.629 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.1 t -107.89 3.73 24.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.591 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -138.19 55.52 8.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.96 -3.54 14.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.564 1.823 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 78.79 0.41 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 108.268 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.548 HE22 ' ND2' ' A' ' 463' ' ' ASN . 2.8 pp0? 34.05 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.548 ' ND2' HE22 ' A' ' 462' ' ' GLN . 0.3 OUTLIER 72.09 30.15 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 463' ' ' ASN . 46.6 t0 69.28 17.48 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -81.0 121.67 26.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.1 m -69.85 108.87 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 136.56 57.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.239 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.664 HD12 HE21 ' A' ' 475' ' ' GLN . 3.5 mt -135.18 84.56 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 118.65 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.234 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -120.9 -173.38 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.553 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -63.59 115.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.354 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.76 28.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 471' ' ' ILE . 3.6 pt-20 -164.67 153.19 12.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.413 0.714 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -145.4 160.76 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.664 HE21 HD12 ' A' ' 468' ' ' LEU . 2.8 pp0? -143.53 151.65 40.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 12.8 p -124.83 116.87 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 477' ' ' ILE . 0.8 OUTLIER -75.73 110.34 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.8 178.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.233 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 13.0 mtp -84.02 151.21 60.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 52.73 3.13 Favored 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -138.88 -40.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.42 1.075 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -107.97 169.44 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -152.42 178.12 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.19 -174.55 15.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.591 1.182 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -38.38 77.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.579 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.1 OUTLIER -109.09 13.75 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.633 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 463' ' ' ASN . 40.8 t 43.51 27.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 486' ' ' HIS . 28.4 tt0 -98.48 0.22 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.385 1.053 . . . . 0.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 483' ' ' GLU . 1.7 m -101.68 125.28 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 491' ' ' THR . 28.2 t-20 -68.12 144.5 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.26 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.98 171.35 9.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.9 pm0 -148.35 18.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 28.78 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.46 62.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.08 10.73 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.32 103.46 8.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.92 -34.79 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 60.8 9.92 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 108.301 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 500' ' ' LEU . 5.3 tp 46.65 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -13.05 60.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -70.76 -11.1 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -155.37 135.81 4.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.58 114.09 27.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.28 100.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 108.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.96 132.04 41.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.52 86.24 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.77 137.42 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.425 ' O ' ' ND2' ' A' ' 510' ' ' ASN . 1.4 mt -70.55 66.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.5 OUTLIER 163.38 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.17 -170.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.248 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.99 145.2 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.59 108.85 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 6.7 t -79.02 83.82 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 165.11 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.7 p -108.66 117.78 53.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo . . . . . 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.927 -179.947 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.733 ' HB2' HD23 ' A' ' 433' ' ' LEU . 10.7 t70 . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.543 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.7 p -124.89 160.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 417' ' ' SER . 19.7 t0 -83.5 77.93 9.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.5 mp0 -63.66 -7.79 8.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -17.16 30.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.242 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 0.2 OUTLIER -104.88 -19.32 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 110.013 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.7 OUTLIER -61.04 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.316 1.01 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -162.17 25.23 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.617 1.198 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.31 92.34 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.792 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.35 104.09 55.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.545 ' CG ' ' CD ' ' A' ' 450' ' ' GLU . 18.4 Cg_endo -75.03 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 4.8 m -42.31 -24.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.52 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 69.67 -93.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.211 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 0.1 OUTLIER -140.38 50.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.776 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 161.92 98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.6 175.83 24.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.593 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.9 OUTLIER -103.54 136.48 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.76 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.2 OUTLIER -112.85 109.77 19.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.377 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -114.6 169.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.7 t30 -108.7 137.76 46.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -126.89 166.17 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 412' ' ' ASP . 3.7 mt -73.17 123.21 23.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.03 -46.0 3.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 432' ' ' THR . 9.5 m -133.2 174.2 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 0.699 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -100.95 155.19 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -124.27 145.73 49.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.204 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.52 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -144.22 132.5 21.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG3' HD11 ' A' ' 430' ' ' ILE . 46.7 mt-30 -78.59 149.21 33.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 141.62 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.355 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -103.44 119.78 39.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 5.1 mm-40 61.3 -101.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.62 72.44 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.776 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.4 m-85 -100.3 161.0 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.922 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.09 -123.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.621 1.201 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.875 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.69 158.14 20.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.581 1.175 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.43 11.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 28.0 mmm180 -114.61 -4.55 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.6 OUTLIER 90.34 58.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 108.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.911 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -148.99 14.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.922 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.4 mp -117.48 145.36 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.79 128.06 44.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.532 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.61 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.955 ' O ' HG22 ' A' ' 457' ' ' VAL . 60.1 t-20 -100.66 91.19 4.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 474' ' ' PHE . 13.1 mp0 -59.83 -9.54 3.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -83.26 6.98 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 454' ' ' ASN . 16.5 m -100.18 -25.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.456 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 0.4 OUTLIER -117.05 4.01 12.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.913 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -155.42 57.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -75.04 -0.35 9.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.8 OUTLIER 72.97 20.78 3.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.13 . . . . 0.0 108.301 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 84.53 -149.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.21 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -112.02 32.19 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.09 36.67 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.699 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.33 135.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -77.75 109.03 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 142.01 56.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.26 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 64.0 mt -146.94 101.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 4.2 t0 -64.87 120.86 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.2 OUTLIER -112.16 -168.68 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.01 112.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.97 22.71 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.16 154.28 7.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 0.735 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 25.4 p90 -116.95 162.13 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.12 132.37 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.626 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -119.68 132.3 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 108.268 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 477' ' ' ILE . 15.6 mm -99.17 110.68 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 -174.09 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 31.3 mtp -84.52 151.62 59.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -143.97 -42.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -102.07 170.93 7.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.3 OUTLIER -155.08 -176.16 5.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . 0.479 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.27 -175.97 22.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.411 1.069 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -78.08 -19.03 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.754 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' A' ' 485' ' ' VAL . 13.8 m-70 -105.74 2.78 28.24 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.501 1.125 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.0 m 49.71 30.21 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 108.351 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.416 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -126.96 10.59 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.761 HG11 ' CG ' ' A' ' 507' ' ' ASP . 9.9 t -89.33 112.86 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 509' ' ' ILE . 6.3 p30 -67.75 91.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.367 1.042 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 57.23 154.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.24 134.07 37.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 25.64 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 17.83 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.234 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.82 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -62.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.4 p -136.38 98.38 11.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -74.91 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 500' ' ' LEU . 22.5 m 38.49 59.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 108.319 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 2.6 pt? -57.02 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 97.7 m-70 67.92 -107.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -105.11 -21.19 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . -68.46 154.48 53.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.32 137.87 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.783 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 130.85 40.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.501 HD13 ' OE2' ' A' ' 515' ' ' GLU . 1.1 tp -108.07 131.46 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.761 ' CG ' HG11 ' A' ' 489' ' ' VAL . 32.6 t0 -95.0 96.37 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -92.53 145.43 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER -74.63 57.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.64 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -163.88 -163.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.223 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -124.31 145.33 49.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.71 123.09 39.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 96.65 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.501 ' OE2' HD13 ' A' ' 506' ' ' LEU . 4.7 pt-20 -89.15 91.39 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 128.91 30.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.952 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.1 t0 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.711 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.1 p -104.32 157.76 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 60.5 t0 -90.71 76.43 6.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -58.77 -15.11 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -16.96 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.8 t -108.36 -19.1 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.2 mt -69.85 -81.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.99 24.53 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.422 1.076 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.83 77.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -115.68 105.52 51.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.507 ' HB2' HD12 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -74.97 -34.35 3.92 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 426' ' ' ALA . 83.4 m -60.47 -9.73 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 423' ' ' CYS . 8.2 pt-20 49.0 40.67 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 424' ' ' GLU . 13.2 m-70 77.65 -7.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 423' ' ' CYS . . . -109.69 75.21 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.13 -169.69 32.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -105.42 120.2 40.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.712 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -108.47 114.29 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.411 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.753 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.37 169.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.5 t30 -108.57 138.61 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -126.65 164.21 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.1 mt -71.86 122.86 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.42 -44.65 3.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 432' ' ' THR . 8.2 m -133.1 169.36 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 45.6 p90 -100.33 160.14 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -128.98 141.83 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.4 t -142.27 126.17 17.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.658 ' HG3' HD11 ' A' ' 430' ' ' ILE . 6.9 mt-30 -86.61 158.43 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.4 p -87.52 172.53 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.613 HD23 ' NE2' ' A' ' 442' ' ' GLN . 0.0 OUTLIER -144.72 153.76 42.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.613 ' NE2' HD23 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 47.21 -98.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -139.13 68.68 0.49 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 3.0 m-85 -104.11 160.03 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -104.06 -114.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.73 158.59 22.23 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . 0.438 ' HG2' ' CD ' ' A' ' 448' ' ' ARG . 18.2 Cg_endo -75.0 -27.75 9.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.2 OUTLIER -112.07 -5.78 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.224 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 91.88 60.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.362 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -156.9 21.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 1.001 HG22 HG23 ' A' ' 445' ' ' THR . 1.1 mp -127.73 144.14 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.6 t70 -89.52 137.29 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.533 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -101.11 162.05 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 457' ' ' VAL . 63.4 t-20 -101.53 89.64 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.586 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 12.6 mp0 -60.85 -11.72 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -79.04 2.19 21.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.396 1.06 . . . . 0.0 108.223 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.4 m -96.91 -25.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.22 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.465 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 58.1 m -116.92 0.82 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -156.31 58.7 1.77 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.95 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.4 m 71.1 22.22 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.348 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 74.37 -169.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -92.31 39.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 27.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -164.48 127.84 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.5 m -69.69 109.2 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 131.98 45.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 108.386 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 468' ' ' LEU . 28.2 mt -137.12 95.81 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 0.6 OUTLIER -64.39 125.86 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.195 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.7 -168.04 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.618 1.198 . . . . 0.0 110.29 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -72.98 118.83 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.0 24.35 0.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -169.88 153.93 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.2 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 18.9 p90 -120.68 162.5 19.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.542 HE21 HD11 ' A' ' 477' ' ' ILE . 0.2 OUTLIER -142.25 133.42 26.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -121.7 126.7 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.542 HD11 HE21 ' A' ' 475' ' ' GLN . 12.8 mm -83.19 148.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 482' ' ' TYR . 40.9 t -102.98 145.26 30.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.85 152.57 53.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.39 5.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.39 -41.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.405 ' O ' ' SG ' ' A' ' 478' ' ' CYS . 20.0 m-85 -120.31 171.36 8.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 0.806 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.619 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.2 OUTLIER -149.1 -178.25 6.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.08 -163.22 12.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.541 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.3 -35.66 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.541 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.54 6.31 27.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 38.9 t 45.11 39.01 3.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 0.0 OUTLIER -112.18 -0.42 15.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.19 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -88.9 122.45 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 491' ' ' THR . 5.9 p30 -77.56 92.55 4.07 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 490' ' ' ASN . 12.6 t 51.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.21 161.95 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.6 pm0 -144.83 26.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.3 25.74 10.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.31 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -67.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.069 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.95 90.32 50.56 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.28 21.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.0 OUTLIER 41.77 56.71 3.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 501' ' ' HIS . 6.4 tp -81.16 163.51 23.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 3.3 m170 69.27 -58.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m-20 -81.47 4.58 20.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . 160.31 -177.76 36.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -129.96 139.56 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.57 125.94 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.4 mp -92.54 132.1 37.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.578 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -80.63 96.74 6.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -106.24 147.15 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.6 pt -76.25 60.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.63 -159.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 6.3 p90 -127.05 132.68 50.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -110.02 114.9 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 74.4 m -81.95 95.45 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 108.282 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 504' ' ' ARG . 2.8 pt-20 -71.76 -179.42 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.61 141.48 23.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.246 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.415 ' HB2' HD23 ' A' ' 433' ' ' LEU . 19.4 t70 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.99 149.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 26.7 t0 -91.93 77.45 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.35 -18.69 7.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.232 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -81.27 -19.07 43.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.1 t -99.18 -20.03 16.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.6 mt -73.6 -79.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -165.76 26.88 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.29 78.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 0.75 . . . . 0.0 109.331 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -120.88 106.24 39.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.96 -28.39 9.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 50.6 m -50.17 -19.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 423' ' ' CYS . 3.5 mm-40 72.24 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 1.0 OUTLIER -139.75 -44.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.532 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.229 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.08 163.63 18.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.3 OUTLIER -99.95 128.59 46.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.822 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -112.37 119.71 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.822 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -121.71 169.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 432' ' ' THR . 18.1 t30 -107.55 135.62 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.83 165.15 19.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -72.61 122.74 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.25 -44.29 3.15 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.493 1.12 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 432' ' ' THR . 23.1 t -132.84 169.81 16.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.633 0.843 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 28.8 p90 -104.74 144.55 31.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 432' ' ' THR . 5.2 tt0 -107.04 144.11 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 16.6 t -143.65 124.83 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.24 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.555 ' HG3' HD11 ' A' ' 430' ' ' ILE . 23.9 mt-30 -82.3 155.87 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.3 p -86.57 156.99 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.35 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 441' ' ' LEU . 0.4 OUTLIER -113.93 136.42 52.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 8.0 mm-40 44.16 -101.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.248 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.46 70.76 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.5 m-85 -100.27 160.81 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.883 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.9 t -102.62 -124.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.871 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.23 157.39 11.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -25.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.4 mmt-85 -110.33 -5.81 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 0.0 110.352 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 88.08 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.751 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -144.93 6.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.883 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.7 OUTLIER -107.12 147.01 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 25.7 t0 -100.8 125.7 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.6 p -97.98 167.98 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 1.02 ' O ' HG22 ' A' ' 457' ' ' VAL . 40.9 t-20 -101.05 90.5 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.51 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.0 pm0 -64.43 -5.32 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 469' ' ' ASP . 20.6 t -88.62 11.36 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 454' ' ' ASN . 13.0 m -109.81 -22.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 6.6 p -115.56 -7.46 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -140.3 59.28 12.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.524 ' HA ' ' SG ' ' A' ' 467' ' ' CYS . 18.4 Cg_endo -75.04 -2.73 12.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.72 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.8 t 75.02 20.11 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.8 tt0 84.34 -141.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.453 ' ND2' ' OE1' ' A' ' 462' ' ' GLN . 8.8 p30 -116.9 -1.62 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 73.7 m-20 -116.6 54.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.087 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 176.25 120.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 0.9 OUTLIER -66.89 106.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 49.8 t -63.64 163.04 12.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.512 ' HA ' HD23 ' A' ' 468' ' ' LEU . 1.4 mt -170.09 90.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.177 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -75.71 151.54 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -152.72 -162.61 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.355 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -53.45 118.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 25.1 41.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 471' ' ' ILE . 4.3 pt-20 -169.01 155.02 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 0.709 . . . . 0.0 110.355 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 459' ' ' ASN . 5.9 p90 -135.72 139.75 43.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 468' ' ' LEU . 8.8 pt20 -121.93 144.01 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.379 1.05 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 466' ' ' THR . 13.7 p -127.06 137.55 53.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 477' ' ' ILE . 10.8 mm -103.21 115.55 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -84.64 152.35 59.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 55.1 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.762 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.12 -42.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 58.0 m-85 -109.47 170.48 8.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.4 tt0 -154.25 -179.95 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.03 -177.8 16.43 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -68.71 -34.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.473 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -108.05 -1.56 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.657 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 57.5 m 60.39 28.29 17.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.102 . . . . 0.0 108.222 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -103.86 3.33 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 483' ' ' GLU . 2.0 m -107.88 128.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.719 ' H ' HG23 ' A' ' 509' ' ' ILE . 24.6 t-20 -67.71 144.57 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.24 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -51.7 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -76.34 174.69 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.07 . . . . 0.0 109.194 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.35 43.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -140.91 46.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.58 -14.85 60.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.26 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 0.0 109.871 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 53.4 m -101.26 111.35 63.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.949 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . 0.455 ' HB2' HD22 ' A' ' 500' ' ' LEU . 18.4 Cg_endo -75.02 -25.83 11.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 498' ' ' PRO . 52.5 t 46.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 498' ' ' PRO . 1.0 OUTLIER -145.37 27.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.96 -46.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.619 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -99.69 -19.66 16.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.431 ' HA2' ' HD3' ' A' ' 517' ' ' PRO . . . -176.91 -179.5 47.34 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.411 1.069 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -113.44 118.74 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 0.817 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 497' ' ' SER . 1.2 m -59.72 106.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.718 HD23 ' HG3' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -98.44 131.99 44.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -93.87 132.66 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.719 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.8 OUTLIER -69.8 64.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 508' ' ' LYS . 0.2 OUTLIER 167.85 -44.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.23 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -151.64 -172.13 4.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.1 OUTLIER -117.54 122.05 42.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -105.96 161.29 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.38 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.38 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.718 ' HG3' HD23 ' A' ' 506' ' ' LEU . 4.5 mm-40 -61.27 -139.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 137.05 21.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.431 ' HD3' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.236 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 412' ' ' ASP . . . . . 0.581 ' HB2' HD23 ' A' ' 433' ' ' LEU . 4.8 t70 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.278 -0.638 . . . . 0.0 109.278 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 413' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 418' ' ' LEU . 2.4 p -112.25 152.78 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 414' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.9 t0 -89.53 76.31 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.396 1.06 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 415' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.1 mp0 -55.98 -19.24 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 416' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.0 OUTLIER -79.0 -19.77 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.371 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 44.5 t -99.05 -25.67 14.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 418' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -67.34 -78.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.95 31.69 0.24 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 420' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.73 75.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 0.805 . . . . 0.0 109.241 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 421' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 4.1 t30 -116.52 107.33 47.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 422' ' ' PRO . . . . . 0.609 ' O ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.97 -36.48 2.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 423' ' ' CYS . . . . . 0.638 ' O ' ' C ' ' A' ' 424' ' ' GLU . 85.2 m -65.41 56.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 424' ' ' GLU . . . . . 0.638 ' C ' ' O ' ' A' ' 423' ' ' CYS . 25.0 mt-10 16.36 -96.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -135.68 11.36 3.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 426' ' ' ALA . . . . . 0.953 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -139.44 105.02 5.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 427' ' ' GLY . . . . . 0.864 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.64 -175.97 33.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 428' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -109.9 121.95 46.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 429' ' ' CYS . . . . . 0.679 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -109.46 109.5 20.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 430' ' ' ILE . . . . . 0.854 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -110.67 169.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 431' ' ' ASN . . . . . 0.444 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.8 t30 -108.83 139.88 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 432' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.72 170.49 12.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 433' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.8 mt -76.28 122.38 24.31 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 434' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 412' ' ' ASP . . . 83.2 -44.87 3.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.2 m -132.49 172.51 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -103.6 155.4 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 437' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 430' ' ' ILE . 5.9 tt0 -122.02 146.75 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 438' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 47.9 t -142.01 124.55 15.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 439' ' ' GLN . . . . . 0.854 ' HG3' HD11 ' A' ' 430' ' ' ILE . 10.5 mt-30 -81.94 159.94 23.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 440' ' ' CYS . . . . . 0.455 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.2 m -82.0 157.77 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.35 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 441' ' ' LEU . . . . . 0.864 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.3 OUTLIER -111.63 96.83 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 442' ' ' GLN . . . . . 0.628 ' NE2' HD13 ' A' ' 441' ' ' LEU . 0.3 OUTLIER 69.21 -92.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.227 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -123.71 71.21 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 444' ' ' TYR . . . . . 0.953 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -103.87 160.97 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 0.828 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 445' ' ' THR . . . . . 0.921 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.97 -121.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 446' ' ' GLY . . . . . 0.861 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.65 156.89 17.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.27 10.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 448' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 14.0 mmt180 -110.63 -9.72 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 449' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 95.48 62.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 450' ' ' GLU . . . . . 0.966 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -157.37 22.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 451' ' ' ILE . . . . . 0.966 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.6 mp -124.01 145.33 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 452' ' ' ASP . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.42 123.84 40.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 453' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.4 OUTLIER -98.87 160.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 454' ' ' ASN . . . . . 0.805 ' O ' HG22 ' A' ' 457' ' ' VAL . 57.9 t-20 -97.45 89.65 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 455' ' ' GLU . . . . . 0.537 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 0.8 OUTLIER -59.47 -14.84 14.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -2.17 28.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 457' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 454' ' ' ASN . 31.2 m -75.62 -26.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 458' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 67.1 m -119.66 -0.54 10.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 459' ' ' ASN . . . . . 0.607 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -150.95 58.33 2.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 460' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.841 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 461' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 7.3 m 70.98 20.21 5.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 462' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 82.85 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 463' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 464' ' ' ASP . 0.1 OUTLIER -102.75 -27.0 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 464' ' ' ASP . . . . . 0.474 ' N ' HD22 ' A' ' 463' ' ' ASN . 0.2 OUTLIER -67.44 -9.99 47.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 465' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -123.18 124.49 43.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.3 m -73.57 109.71 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 148.88 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 468' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 468' ' ' LEU . 7.0 mt -154.73 79.53 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.01 145.61 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 470' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -150.94 -165.44 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 471' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -52.52 115.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 472' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 26.39 40.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 473' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -170.54 154.41 4.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 474' ' ' PHE . . . . . 0.607 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -138.39 159.59 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 475' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 9.5 pt20 -136.51 151.84 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 476' ' ' CYS . . . . . 0.898 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 1.7 p -130.18 113.36 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 477' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 5.7 mt -67.76 162.55 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 478' ' ' CYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 1.9 t -120.72 151.35 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.1 mmt -99.63 150.27 36.65 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.66 5.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.54 -41.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.152 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 482' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 40.1 m-85 -129.2 170.38 13.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.34 -179.85 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 121.71 -174.87 16.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 485' ' ' VAL . . . . . 0.766 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -70.0 -32.02 49.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 486' ' ' HIS . . . . . 0.766 ' CD2' HG13 ' A' ' 485' ' ' VAL . 14.4 m170 -108.23 -9.18 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.71 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 84.4 m 65.24 36.58 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' OE1' ' A' ' 462' ' ' GLN . 5.7 tp10 -112.64 -3.83 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.8 m -96.62 125.0 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 490' ' ' ASN . . . . . 0.67 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.0 OUTLIER -62.67 147.13 50.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 491' ' ' THR . . . . . 0.472 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.55 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 492' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 495' ' ' ALA . 25.4 t0 -69.09 162.34 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.393 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 493' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -133.13 22.31 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.19 45.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 108.278 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 495' ' ' ALA . . . . . 0.437 ' N ' ' OD2' ' A' ' 492' ' ' ASP . . . -68.73 -17.64 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -55.47 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.41 99.35 40.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.31 11.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 499' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 503' ' ' GLY . 1.0 OUTLIER 70.06 30.77 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.377 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 500' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -50.67 125.09 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 501' ' ' HIS . . . . . 0.558 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 81.38 -45.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.636 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 1.9 m-80 -69.17 -20.18 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 503' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 151.13 -151.84 23.75 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 504' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 515' ' ' GLU . 5.7 ttp180 -127.2 125.36 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 118.2 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 506' ' ' LEU . . . . . 0.651 HD23 ' HD3' ' A' ' 508' ' ' LYS . 4.9 tp -98.97 141.42 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 507' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.9 OUTLIER -103.23 89.28 3.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 508' ' ' LYS . . . . . 0.651 ' HD3' HD23 ' A' ' 506' ' ' LEU . 1.8 mmmt -86.3 165.48 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 509' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -87.96 69.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 510' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 2.6 m-20 158.48 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 512' ' ' PHE . . . . . 0.47 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 1.4 p90 -116.56 144.05 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.1 108.28 13.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 34.4 t -69.48 80.27 0.4 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 515' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 504' ' ' ARG . 59.7 mm-40 -44.99 168.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.18 133.2 21.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 517' ' ' PRO . . . . . 0.478 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.347 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.421 ' OD2' ' OD1' ' A' ' 431' ' ' ASN . 9.4 t0 -158.85 130.63 6.53 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.358 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.476 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.1 p -112.43 160.48 11.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.298 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.453 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 15.1 t0 -93.12 77.71 4.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.9 mp0 -57.92 -15.72 9.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 110.344 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.453 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -85.88 -15.53 41.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.118 . . . . 0.0 108.33 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.419 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 1.0 OUTLIER -110.22 -9.25 14.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.148 . . . . 0.0 110.025 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -73.39 -92.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -148.11 16.66 1.35 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.432 1.082 . . . . 0.0 110.974 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.56 90.86 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 0.733 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -109.37 103.24 52.18 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.569 1.168 . . . . 0.0 109.236 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.618 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.1 Cg_endo -75.01 -40.23 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.52 1.8 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 6.1 m -43.96 -23.12 0.07 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 108.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.519 ' N ' ' C ' ' A' ' 422' ' ' PRO . 7.4 mt-10 68.61 -106.94 0.08 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.517 1.136 . . . . 0.0 110.322 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.624 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 10.9 m-70 -131.64 46.4 2.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 109.618 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 1.036 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 168.08 90.04 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 162.13 172.47 29.59 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.475 1.11 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.47 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -103.14 137.1 41.75 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 0.774 . . . . 0.0 109.329 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.89 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -119.54 117.43 28.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 108.334 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.89 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.73 168.55 15.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.442 1.089 . . . . 0.0 109.321 -179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.482 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.5 t30 -108.17 134.72 50.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.369 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.484 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.21 163.31 22.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 110.398 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 2.0 mt -71.57 122.57 20.73 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.485 1.116 . . . . 0.0 109.23 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.9 -44.65 3.29 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.605 1.191 . . . . 0.0 110.978 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.484 ' O ' ' CB ' ' A' ' 432' ' ' THR . 15.1 m -132.89 169.3 16.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.452 0.736 . . . . 0.0 109.994 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.618 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 5.7 p90 -102.98 149.69 24.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 110.968 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.453 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -114.58 142.92 45.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 110.24 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.47 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.0 t -143.88 127.52 17.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 108.325 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.464 ' HG3' HD11 ' A' ' 430' ' ' ILE . 45.6 mt-30 -80.97 160.5 24.6 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.408 ' CB ' ' HB2' ' A' ' 444' ' ' TYR . 0.1 OUTLIER -93.7 155.3 17.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.296 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.609 HD13 ' NE2' ' A' ' 442' ' ' GLN . 0.2 OUTLIER -112.06 106.48 15.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 0.0 109.32 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.609 ' NE2' HD13 ' A' ' 441' ' ' LEU . 0.6 OUTLIER 68.68 -93.8 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.485 1.116 . . . . 0.0 110.26 -179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.38 74.65 0.43 Allowed Glycine 0 CA--C 1.528 0.897 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 1.036 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.3 m-85 -103.03 160.97 14.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.477 0.751 . . . . 0.0 111.025 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.759 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.3 t -101.93 -126.64 0.2 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.377 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.692 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.32 163.77 38.68 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.445 1.091 . . . . 0.0 111.018 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -32.77 5.06 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.575 1.829 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.505 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.3 OUTLIER -118.92 6.88 11.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.501 1.126 . . . . 0.0 110.296 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.567 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 87.61 62.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.573 1.171 . . . . 0.0 108.263 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.694 ' O ' HD13 ' A' ' 451' ' ' ILE . 17.9 pm0 -149.39 15.04 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.563 1.165 . . . . 0.0 110.286 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.759 ' O ' ' N ' ' A' ' 445' ' ' THR . 33.3 mm -122.91 147.59 27.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.604 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 6.4 t0 -101.42 121.98 42.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.569 1.168 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.499 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.99 165.4 2.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.449 1.093 . . . . 0.0 109.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.936 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.6 t-20 -101.66 92.23 4.77 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.497 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -64.14 -7.56 9.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.426 1.079 . . . . 0.0 110.331 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.06 8.36 18.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 108.306 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.936 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.3 m -100.17 -26.27 3.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.323 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -111.8 -4.61 14.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 109.992 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.614 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -144.28 56.55 4.18 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.563 1.165 . . . . 0.0 109.382 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.565 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.95 0.45 8.87 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.975 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.679 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.66 20.87 2.93 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.47 1.106 . . . . 0.0 108.295 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.508 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 86.8 -145.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 9.5 p30 -115.27 41.54 2.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.404 ' OD1' ' OE1' ' A' ' 488' ' ' GLU . 0.4 OUTLIER -151.19 38.12 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.324 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.679 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.02 134.48 1.61 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.158 . . . . 0.0 109.293 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.534 ' O ' ' CG2' ' A' ' 466' ' ' THR . 0.5 OUTLIER -78.47 110.14 13.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.531 1.144 . . . . 0.0 110.447 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.66 134.35 47.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 108.342 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.8 mt -134.09 95.03 3.34 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.527 1.142 . . . . 0.0 109.264 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . 0.404 ' CG ' ' HA ' ' A' ' 454' ' ' ASN . 48.9 t0 -65.58 125.43 25.2 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.575 1.172 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -124.69 -172.71 2.62 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.527 1.142 . . . . 0.0 110.372 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.66 114.26 4.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.59 27.29 0.3 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.424 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.62 158.25 15.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 0.767 . . . . 0.0 110.25 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.614 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -142.24 160.55 40.02 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 -179.941 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.475 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.2 pt20 -141.16 134.64 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.286 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.645 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -114.98 121.69 43.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.47 1.106 . . . . 0.0 108.269 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 477' ' ' ILE . 19.6 mm -92.06 115.67 31.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 0.0 109.355 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -108.5 -173.35 2.25 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.412 1.07 . . . . 0.0 108.319 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 58.7 mtp -83.19 152.25 64.57 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.491 1.119 . . . . 0.0 110.869 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 55.48 3.98 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.43 1.753 . . . . 0.0 111.003 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.7 -43.66 0.03 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.567 1.167 . . . . 0.0 110.922 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.558 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 28.1 m-85 -112.72 170.25 8.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.474 0.749 . . . . 0.0 111.0 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.473 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.0 tt0 -158.14 -178.33 7.21 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.539 1.149 . . . . 0.0 110.401 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.71 -171.4 13.93 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.553 1.158 . . . . 0.0 111.041 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.501 HG12 ' CG ' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -70.41 -34.44 57.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.535 0.785 . . . . 0.0 109.268 -179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.501 ' CG ' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.83 6.59 27.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.613 179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 52.1 m 44.2 47.25 7.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 108.296 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.529 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 4.3 tp10 -127.58 -1.33 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.085 . . . . 0.0 110.346 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.94 117.19 33.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.569 1.168 . . . . 0.0 109.318 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.659 ' O ' HG22 ' A' ' 491' ' ' THR . 5.2 p30 -71.33 90.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 490' ' ' ASN . 8.8 t 48.53 176.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.367 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -95.8 159.77 14.81 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.147 . . . . 0.0 109.238 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.599 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.7 pm0 -146.2 22.65 1.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.5 p -95.34 12.86 27.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.562 1.164 . . . . 0.0 108.293 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -68.33 -14.3 62.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 44.5 m -103.93 24.96 10.51 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 109.978 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.506 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 1.3 p -166.5 90.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.409 ' C ' ' H ' ' A' ' 500' ' ' LEU . 17.9 Cg_endo -75.01 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.44 ' CB ' ' HA3' ' A' ' 503' ' ' GLY . 19.9 m 77.52 -48.67 0.51 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.537 1.148 . . . . 0.0 108.334 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.453 ' HA ' HD12 ' A' ' 500' ' ' LEU . 5.2 tp 69.66 170.9 0.3 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 109.221 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 29.2 m170 67.39 -110.96 0.14 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.155 . . . . 0.0 109.582 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.486 ' O ' ' CD ' ' A' ' 517' ' ' PRO . 7.0 m-20 -106.02 -20.04 13.54 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.557 1.161 . . . . 0.0 109.249 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.456 ' C ' ' O ' ' A' ' 502' ' ' ASN . . . -32.99 111.26 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.461 1.1 . . . . 0.0 110.98 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -116.03 115.83 26.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 110.334 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 7.3 p -77.85 141.75 38.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 108.21 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.658 HD23 ' CE ' ' A' ' 508' ' ' LYS . 1.3 tp -103.79 132.87 49.64 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.456 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -81.81 100.57 9.64 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.594 1.184 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.658 ' CE ' HD23 ' A' ' 506' ' ' LEU . 16.1 mmtt -111.4 154.13 25.08 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 3.9 pt -81.69 63.18 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.372 1.045 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 174.84 -48.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.343 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -158.37 -165.32 1.66 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.484 1.115 . . . . 0.0 110.344 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.599 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 2.4 p90 -116.5 144.69 44.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.97 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . 0.423 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.4 OUTLIER -115.41 109.52 18.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 40.8 t -82.15 97.55 8.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.409 1.068 . . . . 0.0 108.353 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -107.29 171.73 7.22 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.548 1.155 . . . . 0.0 110.269 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 32.5 t -111.11 116.13 51.85 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.617 1.198 . . . . 0.0 108.245 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.486 ' CD ' ' O ' ' A' ' 502' ' ' ASN . 18.2 Cg_endo -75.05 -162.95 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.538 1.809 . . . . 0.0 110.98 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.658 ' HA ' HG22 ' A' ' 521' ' ' THR . 1.2 m -168.28 -46.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.437 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -41.98 -31.1 0.78 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -95.95 -64.38 1.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.568 0.805 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.658 HG22 ' HA ' ' A' ' 518' ' ' THR . 0.7 OUTLIER -47.57 139.77 6.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.633 1.208 . . . . 0.0 110.478 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -121.82 38.76 2.52 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.55 1.156 . . . . 0.0 110.997 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.15 -79.28 0.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 0.768 . . . . 0.0 109.605 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -171.55 -48.16 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.588 1.18 . . . . 0.0 109.276 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER 63.97 97.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 108.366 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.274 -179.988 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.472 ' OD2' ' N ' ' A' ' 413' ' ' VAL . 13.0 t70 -141.23 175.05 9.95 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.313 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.472 ' N ' ' OD2' ' A' ' 412' ' ' ASP . 0.3 OUTLIER -82.14 145.32 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 30.3 t0 -90.27 81.05 6.12 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.435 1.085 . . . . 0.0 109.272 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.706 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -54.71 -15.53 1.91 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.448 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -86.08 -21.17 27.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 108.241 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.437 ' N ' ' O ' ' A' ' 414' ' ' ASP . 2.5 t -96.39 -15.46 21.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.971 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.706 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -73.03 -90.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -153.85 22.57 0.7 Allowed Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.523 1.139 . . . . 0.0 111.019 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.8 85.57 2.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 0.774 . . . . 0.0 109.359 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -114.75 105.5 53.26 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.508 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -36.05 2.78 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.451 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.7 m -43.78 -23.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 1.082 . . . . 0.0 108.294 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.485 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.2 mm-40 69.5 -99.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.596 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 9.0 m-70 -136.21 44.26 2.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.554 1.159 . . . . 0.0 109.652 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.951 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 169.47 97.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.557 1.161 . . . . 0.0 109.263 -179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 157.67 174.39 27.32 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.459 1.099 . . . . 0.0 110.998 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.795 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -104.87 138.78 40.6 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 0.755 . . . . 0.0 109.356 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.835 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.95 119.78 32.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 108.211 -179.894 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.835 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.05 169.68 13.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.46 1.1 . . . . 0.0 109.283 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.413 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 42.6 t30 -108.14 135.12 50.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.423 ' OG1' ' HA ' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -127.41 165.14 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 110.279 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.1 mt -71.66 123.71 23.14 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.48 -46.52 3.58 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.503 1.127 . . . . 0.0 111.009 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.0 m -133.03 173.38 11.48 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.444 0.732 . . . . 0.0 110.017 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.477 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 17.9 p90 -104.61 162.16 13.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 110.992 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.2 tt0 -125.01 145.29 49.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.29 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.545 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 2.2 t -142.41 130.19 21.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.314 -179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.483 ' HG3' HD11 ' A' ' 430' ' ' ILE . 50.4 mt-30 -82.34 152.87 26.06 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.403 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 4.1 m -83.77 155.2 23.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 108.253 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.431 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -110.76 98.95 7.98 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.275 -179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.411 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 9.4 mm-40 65.49 -100.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.36 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -113.08 69.46 0.23 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.579 1.174 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.951 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.0 OUTLIER -101.94 159.5 15.3 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.508 0.77 . . . . 0.0 110.969 -179.895 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.794 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.6 t -103.91 -123.9 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.469 1.105 . . . . 0.0 110.439 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.713 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.59 160.37 35.39 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.594 1.183 . . . . 0.0 110.995 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.89 -30.62 7.18 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.528 1.804 . . . . 0.0 111.048 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.604 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -116.72 -3.69 11.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.243 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.604 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.3 t 97.01 68.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.476 1.11 . . . . 0.0 108.395 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.725 ' O ' HD13 ' A' ' 451' ' ' ILE . 3.0 pm0 -161.42 23.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.207 -179.894 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.794 ' O ' ' N ' ' A' ' 445' ' ' THR . 42.2 mm -128.11 149.06 32.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.547 1.154 . . . . 0.0 109.315 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.7 t0 -100.47 122.76 43.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -99.67 170.12 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 44.8 t-20 -101.73 104.89 15.71 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.448 1.092 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.495 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.5 pm0 -83.63 -12.57 55.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.164 . . . . 0.0 110.315 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -90.92 1.23 57.18 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.552 1.158 . . . . 0.0 108.361 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.658 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -72.6 -60.36 2.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.359 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.658 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -93.3 3.09 56.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.655 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.08 51.49 2.43 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.586 1.179 . . . . 0.0 109.328 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.655 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.95 1.02 8.18 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.523 1.801 . . . . 0.0 110.926 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.496 ' O ' ' CB ' ' A' ' 462' ' ' GLN . 1.1 m 72.72 19.13 4.05 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 108.255 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.496 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 2.7 tt0 86.06 -150.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -99.81 -26.12 14.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -84.62 50.3 1.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.827 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.54 125.93 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.25 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.443 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 16.0 m -79.21 107.88 12.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.586 1.179 . . . . 0.0 110.476 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.03 133.23 55.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 108.4 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.509 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 1.6 mt -128.12 71.43 1.38 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.519 1.137 . . . . 0.0 109.271 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -64.05 120.09 11.38 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.621 1.201 . . . . 0.0 109.233 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -131.93 -176.8 4.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.552 1.157 . . . . 0.0 110.262 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.673 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -54.36 118.93 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.453 1.096 . . . . 0.0 109.274 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.444 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 33.71 38.69 0.09 OUTLIER Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.487 1.117 . . . . 0.0 111.05 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.425 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.86 154.51 11.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 0.786 . . . . 0.0 110.256 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.508 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.81 160.3 40.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.518 1.136 . . . . 0.0 110.946 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.509 ' CB ' ' HB2' ' A' ' 468' ' ' LEU . 3.2 mm100 -135.13 167.17 21.46 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 110.35 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.827 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 13.5 p -154.86 86.97 1.13 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.546 1.154 . . . . 0.0 108.33 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.446 HD13 ' HA ' ' A' ' 477' ' ' ILE . 3.1 mm -70.79 114.08 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -103.07 175.78 5.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 108.316 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 16.8 mtp -83.31 151.71 63.18 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.485 1.116 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 54.8 3.74 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.425 1.75 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -146.54 -43.96 0.04 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.429 ' CD1' ' HA ' ' A' ' 490' ' ' ASN . 60.0 m-85 -108.58 170.53 7.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.584 0.814 . . . . 0.0 110.994 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -156.32 179.29 9.39 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.31 -175.14 16.36 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.564 1.165 . . . . 0.0 110.951 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.698 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -67.79 -33.66 63.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.629 0.84 . . . . 0.0 109.369 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.698 ' CD2' HG13 ' A' ' 485' ' ' VAL . 64.4 m170 -108.02 -5.2 17.19 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.406 1.066 . . . . 0.0 109.567 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 60.6 m 61.58 40.99 12.91 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 108.34 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -119.18 -2.86 10.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.412 HG23 ' OD1' ' A' ' 507' ' ' ASP . 1.7 m -97.33 124.61 50.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.71 ' H ' HG22 ' A' ' 509' ' ' ILE . 28.8 t-20 -66.06 145.59 55.68 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.575 1.172 . . . . 0.0 109.233 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 11.8 t -40.67 161.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.392 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.33 -177.21 1.7 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.427 1.079 . . . . 0.0 109.269 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.453 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.3 OUTLIER -158.08 25.34 0.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.433 1.083 . . . . 0.0 110.32 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.7 m -122.46 41.79 3.33 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.447 1.092 . . . . 0.0 108.342 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.51 -16.09 61.29 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 497' ' ' SER . 1.5 m -125.06 51.55 1.66 Allowed 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.435 1.084 . . . . 0.0 109.996 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 496' ' ' SER . 0.3 OUTLIER 159.62 70.68 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.28 3.01 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.538 1.809 . . . . 0.0 111.021 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 23.9 p -47.32 103.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 0.0 108.314 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.957 ' C ' HD23 ' A' ' 500' ' ' LEU . 0.0 OUTLIER -141.64 22.62 2.14 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.457 1.098 . . . . 0.0 109.337 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.634 ' CD2' ' CD2' ' A' ' 500' ' ' LEU . 15.0 m-70 -119.25 -53.65 2.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.647 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -98.46 -12.87 20.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.568 1.167 . . . . 0.0 109.276 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.434 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -167.16 171.98 42.07 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.591 1.182 . . . . 0.0 111.036 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 8.3 ttt-85 -116.26 113.01 22.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.756 . . . . 0.0 110.323 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.77 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.7 OUTLIER -61.61 113.34 2.65 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 108.386 179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.426 HD23 ' HD3' ' A' ' 508' ' ' LYS . 0.7 OUTLIER -100.17 131.44 46.12 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER -90.07 95.16 10.08 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.477 1.111 . . . . 0.0 109.32 179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.426 ' HD3' HD23 ' A' ' 506' ' ' LEU . 2.7 mmmt -91.5 156.67 17.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.309 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.71 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.0 OUTLIER -77.61 56.34 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.319 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 177.19 -56.7 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.3 pt-20 -145.24 -163.41 1.71 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.128 . . . . 0.0 110.322 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.453 ' HB3' ' CG ' ' A' ' 493' ' ' GLU . 12.2 p90 -121.5 139.14 53.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.955 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -131.97 108.86 9.65 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.504 1.127 . . . . 0.0 110.304 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 4.6 t -77.6 105.88 9.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 108.31 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.11 -163.29 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 110.319 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 2.0 t -98.42 140.18 21.66 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.152 . . . . 0.0 108.288 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -162.31 0.15 Allowed 'Trans proline' 0 C--N 1.362 1.248 0 O-C-N 124.368 1.72 . . . . 0.0 110.939 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 9.7 t -165.92 -41.45 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.493 1.121 . . . . 0.0 110.424 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -70.5 -38.05 69.06 Favored Glycine 0 CA--C 1.532 1.098 0 O-C-N 124.465 1.103 . . . . 0.0 111.005 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.491 ' CE2' ' HB ' ' A' ' 521' ' ' THR . 0.2 OUTLIER -55.01 -53.75 51.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 0.769 . . . . 0.0 111.011 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.491 ' HB ' ' CE2' ' A' ' 520' ' ' PHE . 5.9 t -95.75 158.91 15.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 110.431 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -55.06 -70.1 1.06 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.533 1.146 . . . . 0.0 110.964 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.443 ' O ' ' CD2' ' A' ' 523' ' ' HIS . 53.6 t60 -156.52 72.35 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 0.805 . . . . 0.0 109.503 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 6.7 mt -134.18 70.28 1.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.084 . . . . 0.0 109.318 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 10.0 t -175.61 -71.65 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.403 1.065 . . . . 0.0 108.342 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 43.8 tt0 . . . . . 0 C--N 1.326 -0.436 0 O-C-N 124.482 1.114 . . . . 0.0 110.24 179.936 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.916 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.9 t0 -154.69 125.01 6.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.41 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.3 OUTLIER -103.08 156.05 5.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 O-C-N 124.52 1.138 . . . . 0.0 109.272 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.448 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.18 77.06 5.29 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.283 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.681 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.5 mp0 -54.45 -20.95 8.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.539 1.149 . . . . 0.0 110.234 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.572 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.9 OUTLIER -77.77 -20.34 53.52 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.575 1.172 . . . . 0.0 108.346 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.448 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 47.2 t -96.86 -27.99 14.44 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.011 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.681 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.5 mt -65.67 -78.22 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.404 1.065 . . . . 0.0 109.198 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -170.78 30.81 0.13 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.501 1.126 . . . . 0.0 110.986 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.37 81.04 1.94 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 0.743 . . . . 0.0 109.304 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.408 ' ND2' ' N ' ' A' ' 424' ' ' GLU . 6.8 t30 -120.19 106.77 40.33 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.415 1.072 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.49 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -74.94 -30.96 6.71 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.542 1.812 . . . . 0.0 111.042 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.449 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 98.7 m -48.83 -19.76 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 108.411 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.49 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.5 mm-40 69.15 -100.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.547 1.154 . . . . 0.0 110.318 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -132.17 37.59 3.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.641 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.959 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -178.09 94.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.599 1.187 . . . . 0.0 109.34 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.934 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.96 171.94 22.9 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.518 1.137 . . . . 0.0 110.975 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -104.17 127.31 51.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.415 0.715 . . . . 0.0 109.329 -179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.705 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -109.04 111.82 23.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.425 1.078 . . . . 0.0 108.415 179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -112.96 170.1 4.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.3 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.459 ' OD1' ' N ' ' A' ' 432' ' ' THR . 32.7 t-20 -108.24 136.52 47.76 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.511 1.132 . . . . 0.0 109.269 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.471 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.69 163.85 23.37 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 110.347 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.916 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -70.79 122.84 20.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 109.256 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.26 -44.96 3.26 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.064 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.471 ' O ' ' CB ' ' A' ' 432' ' ' THR . 32.1 t -132.5 169.11 17.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 0.739 . . . . 0.0 110.038 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.572 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 2.8 p90 -105.09 144.53 31.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.422 1.076 . . . . 0.0 110.92 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.535 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.5 tt0 -107.77 144.77 34.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 0.0 110.297 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.541 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 11.8 t -143.52 125.52 15.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 108.34 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.604 ' HG3' HD11 ' A' ' 430' ' ' ILE . 27.2 mt-30 -82.69 156.35 23.85 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.265 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.454 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.5 p -87.01 155.38 20.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.562 1.164 . . . . 0.0 108.378 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.934 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -116.7 134.1 55.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 109.28 -179.99 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.779 ' NE2' HD12 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 52.15 -98.86 0.07 Allowed 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -130.75 73.67 0.46 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.959 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -102.25 162.11 13.17 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 0.782 . . . . 0.0 111.111 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.888 ' CG2' HG22 ' A' ' 451' ' ' ILE . 3.4 t -101.3 -124.93 0.18 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.513 1.133 . . . . 0.0 110.477 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.837 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.04 157.58 11.58 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.48 1.113 . . . . 0.0 110.989 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -22.57 14.61 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.434 1.755 . . . . 0.0 111.032 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.51 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 17.8 mmt-85 -112.6 -6.23 13.94 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.553 1.158 . . . . 0.0 110.272 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.587 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 88.1 56.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 108.336 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.723 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.44 6.62 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.319 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.888 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.6 OUTLIER -106.04 147.34 11.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.939 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.565 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.05 120.99 40.69 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.578 1.174 . . . . 0.0 109.314 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.537 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.5 p -98.54 169.11 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.537 ' N ' HG22 ' A' ' 453' ' ' VAL . 41.6 t-20 -100.87 101.68 12.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.561 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.3 pm0 -82.41 -10.5 59.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.3 OUTLIER -97.69 13.05 31.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.45 1.094 . . . . 0.0 108.317 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.648 HG12 ' N ' ' A' ' 458' ' ' SER . 0.9 OUTLIER -85.51 -59.19 2.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.396 1.06 . . . . 0.0 109.318 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.648 ' N ' HG12 ' A' ' 457' ' ' VAL . 3.4 m -93.58 7.41 44.79 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.054 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.707 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -142.32 48.33 1.07 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 109.253 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.707 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.3 Cg_endo -75.01 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.541 1.811 . . . . 0.0 111.01 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.481 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 96.0 m 72.11 21.25 4.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 0.0 108.272 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.427 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.5 OUTLIER 80.47 -176.29 0.06 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.306 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -67.68 -43.97 78.89 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.663 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 2.8 t70 -70.34 60.92 0.21 Allowed 'General case' 0 C--N 1.327 -0.41 0 O-C-N 124.44 1.087 . . . . 0.0 109.337 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.663 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 164.29 113.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 0.0 109.289 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.467 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -75.75 107.26 7.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.453 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.488 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.2 OUTLIER -68.43 147.33 52.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.373 1.045 . . . . 0.0 108.269 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.513 ' HB2' ' CB ' ' A' ' 475' ' ' GLN . 45.4 mt -138.01 90.16 2.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 11.1 t0 -64.66 120.75 13.0 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.466 1.104 . . . . 0.0 109.227 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.485 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -124.07 -178.84 4.2 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.269 179.863 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.552 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -56.54 120.28 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 34.34 40.96 0.19 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.542 1.151 . . . . 0.0 111.054 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.485 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.24 167.09 18.33 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.594 0.82 . . . . 0.0 110.259 -179.94 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.561 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.5 OUTLIER -141.13 159.59 41.9 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.503 1.127 . . . . 0.0 111.025 179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.769 ' NE2' ' H ' ' A' ' 476' ' ' CYS . 0.6 OUTLIER -133.31 176.19 8.73 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.466 1.104 . . . . 0.0 110.408 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.769 ' H ' ' NE2' ' A' ' 475' ' ' GLN . 16.9 p -178.18 106.21 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 108.245 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 477' ' ' ILE . 7.4 mm -69.86 159.5 5.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . 0.424 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 0.1 OUTLIER -111.53 155.64 22.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 108.207 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 10.5 mtt -98.0 148.64 34.77 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 111.044 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 69.24 5.66 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.542 1.812 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -179.53 -35.56 0.07 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.924 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 18.3 m-85 -112.6 171.01 7.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 0.774 . . . . 0.0 110.923 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.49 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.77 -177.94 6.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 0.0 110.237 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.49 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.31 -177.72 23.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.474 1.109 . . . . 0.0 110.993 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.572 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.48 -20.68 12.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.473 0.749 . . . . 0.0 109.238 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.572 ' CD2' HG12 ' A' ' 485' ' ' VAL . 4.4 m-70 -104.58 8.74 35.44 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.507 1.13 . . . . 0.0 109.616 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.519 ' HB2' ' HB2' ' A' ' 465' ' ' ALA . 63.0 m 42.69 31.91 0.34 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.425 1.078 . . . . 0.0 108.294 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.577 ' OE2' HD13 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -125.39 7.39 7.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.253 -179.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.49 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.4 t -89.25 102.68 13.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.573 1.171 . . . . 0.0 109.204 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.485 ' O ' ' O ' ' A' ' 491' ' ' THR . 3.0 p30 -64.13 90.19 0.06 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.132 . . . . 0.0 109.27 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.485 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.3 OUTLIER 51.95 166.76 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 0.0 110.427 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.44 ' N ' HG23 ' A' ' 491' ' ' THR . 5.1 p-10 -78.08 -171.98 2.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.393 1.058 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.469 ' HB3' ' CB ' ' A' ' 512' ' ' PHE . 2.2 mp0 -156.57 38.03 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.087 . . . . 0.0 110.41 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -166.78 49.36 0.07 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 108.321 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.34 -39.22 62.96 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.7 m -108.62 23.99 13.72 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.079 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 1.8 m -140.96 87.5 10.92 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.429 1.08 . . . . 0.0 109.954 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.5 Cg_endo -75.07 -13.17 21.34 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.788 . . . . 0.0 111.028 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 12.3 m 70.86 -54.0 0.66 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 108.271 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.452 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER 79.4 -157.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.376 -179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 16.0 m-70 -69.54 -4.88 20.87 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.573 1.171 . . . . 0.0 109.577 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 40.6 m-20 -73.0 -13.79 61.3 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.442 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 155.75 -165.83 32.69 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.503 1.127 . . . . 0.0 111.01 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.476 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -126.38 142.6 51.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 0.772 . . . . 0.0 110.289 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.972 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 4.1 m -87.25 122.04 30.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.099 . . . . 0.0 108.287 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 15.5 mt -95.31 131.2 41.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.417 1.073 . . . . 0.0 109.266 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 3.5 t0 -93.68 90.44 6.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -94.37 147.24 23.42 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.605 1.191 . . . . 0.0 109.352 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.675 ' H ' HD12 ' A' ' 509' ' ' ILE . 3.0 mp -80.36 53.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.122 . . . . 0.0 109.33 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -173.63 -40.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.271 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -162.13 -167.61 1.68 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.554 1.159 . . . . 0.0 110.317 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.0 OUTLIER -118.89 145.04 46.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.465 1.103 . . . . 0.0 110.97 -179.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -134.36 116.3 15.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.271 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . 0.497 ' HB2' ' CE1' ' A' ' 512' ' ' PHE . 7.6 t -87.93 73.36 9.16 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 108.317 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.476 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -44.95 170.0 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.384 0 O-C-N 124.382 1.051 . . . . 0.0 110.237 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 t -96.75 140.01 21.91 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.517 1.136 . . . . 0.0 108.265 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.484 ' HG2' ' CD2' ' A' ' 520' ' ' PHE . 18.0 Cg_endo -75.03 -176.38 2.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.43 1.752 . . . . 0.0 110.937 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.447 ' O ' ' N ' ' A' ' 520' ' ' PHE . 3.2 t -132.86 -43.71 0.89 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 110.346 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.405 ' C ' ' O ' ' A' ' 518' ' ' THR . . . -37.01 -31.82 0.06 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.492 1.12 . . . . 0.0 110.919 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.484 ' CD2' ' HG2' ' A' ' 517' ' ' PRO . 0.4 OUTLIER -43.05 -66.14 0.41 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 0.755 . . . . 0.0 110.998 -179.968 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 2.6 t -95.06 -6.34 42.31 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.51 1.131 . . . . 0.0 110.406 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 110.48 -73.28 0.21 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.526 1.141 . . . . 0.0 111.018 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 3.2 p80 -134.61 68.64 1.47 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.414 0.714 . . . . 0.0 109.625 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER 174.41 169.55 0.24 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.406 1.066 . . . . 0.0 109.294 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 7.3 t -131.54 110.22 10.81 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 108.297 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.588 1.18 . . . . 0.0 110.268 -179.958 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.472 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.8 t70 -134.84 179.34 6.36 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.422 1.076 . . . . 0.0 109.329 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.36 146.61 6.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 37.2 t0 -91.68 78.51 5.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.605 1.191 . . . . 0.0 109.275 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.774 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -54.72 -16.78 2.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 110.273 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.541 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -83.07 -20.83 34.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 108.354 179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.4 t -97.82 -18.98 18.44 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.515 1.135 . . . . 0.0 110.005 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -72.16 -85.87 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.485 1.116 . . . . 0.0 109.344 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.83 24.05 0.41 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.435 1.084 . . . . 0.0 111.001 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.05 80.45 1.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 0.765 . . . . 0.0 109.292 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.422 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.2 t30 -118.36 105.7 45.98 Favored Pre-proline 0 C--N 1.326 -0.417 0 O-C-N 124.399 1.062 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.522 ' CB ' ' OE1' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.96 -41.47 0.67 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.46 1.769 . . . . 0.0 110.972 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 450' ' ' GLU . 57.0 m -46.65 -22.5 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 108.282 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 9.1 mt-10 77.39 -71.81 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.124 . . . . 0.0 110.276 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.431 ' CD2' ' C ' ' A' ' 424' ' ' GLU . 23.2 m-70 -155.32 -42.84 0.08 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.458 1.099 . . . . 0.0 109.518 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.872 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -93.94 81.96 4.21 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.469 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 175.46 176.63 43.88 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.569 1.168 . . . . 0.0 111.029 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.532 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -109.86 121.17 44.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 109.331 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.756 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.25 115.1 28.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 108.289 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.768 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -116.6 169.85 6.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.577 1.173 . . . . 0.0 109.29 179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.485 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.2 t30 -107.25 137.15 45.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.623 1.202 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.485 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.57 167.98 15.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.341 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.472 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.2 mt -74.02 124.18 25.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.68 -44.96 3.19 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.528 1.143 . . . . 0.0 110.952 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 5.9 m -132.83 172.66 12.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 0.775 . . . . 0.0 110.045 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.541 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 15.3 p90 -106.0 144.95 32.0 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.528 1.143 . . . . 0.0 111.001 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.524 ' O ' ' N ' ' A' ' 430' ' ' ILE . 3.4 tt0 -108.24 142.85 37.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.466 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 22.9 t -142.8 124.3 14.83 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 108.306 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.589 ' HG3' HD11 ' A' ' 430' ' ' ILE . 15.9 mt-30 -82.1 155.61 24.97 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.437 1.086 . . . . 0.0 110.254 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.28 155.88 19.88 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 108.273 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.653 HD13 HE21 ' A' ' 442' ' ' GLN . 0.2 OUTLIER -106.42 127.27 53.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 109.255 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.653 HE21 HD13 ' A' ' 441' ' ' LEU . 0.6 OUTLIER 42.42 -95.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 110.373 179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 441' ' ' LEU . . . -120.97 73.8 0.34 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.534 1.146 . . . . 0.0 111.058 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.872 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.2 m-85 -102.67 161.11 14.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.996 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.986 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.6 -122.66 0.19 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.521 1.138 . . . . 0.0 110.374 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.793 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 78.96 155.74 9.21 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.456 1.098 . . . . 0.0 111.049 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . 0.401 ' HD2' ' OE2' ' A' ' 450' ' ' GLU . 18.2 Cg_endo -74.99 -23.1 14.15 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.791 . . . . 0.0 111.027 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.48 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 42.9 mmm-85 -114.81 -2.24 13.01 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.564 1.165 . . . . 0.0 110.258 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.528 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.5 OUTLIER 85.87 61.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.471 1.107 . . . . 0.0 108.316 -179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.634 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -154.33 21.42 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.333 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.986 HG22 ' CG2' ' A' ' 445' ' ' THR . 2.8 mp -125.66 144.68 34.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.519 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.45 123.16 40.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.356 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.507 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.9 OUTLIER -99.49 160.93 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.35 179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.831 ' O ' HG22 ' A' ' 457' ' ' VAL . 59.2 t-20 -101.09 91.5 4.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.592 1.182 . . . . 0.0 109.217 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.529 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.7 pm0 -62.72 -12.01 21.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.578 1.174 . . . . 0.0 110.348 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -78.63 -0.48 30.08 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.395 1.059 . . . . 0.0 108.297 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.831 HG22 ' O ' ' A' ' 454' ' ' ASN . 29.1 m -78.74 -30.47 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 109.245 -179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -113.39 -6.62 13.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 110.026 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.527 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -146.3 58.98 5.01 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.443 1.089 . . . . 0.0 109.33 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.527 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.09 -4.56 15.56 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.527 1.804 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.493 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 92.3 m 72.15 20.14 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.554 1.159 . . . . 0.0 108.301 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.457 ' NE2' ' OD1' ' A' ' 464' ' ' ASP . 0.4 OUTLIER 78.19 -157.29 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.413 1.071 . . . . 0.0 110.239 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -97.03 -34.47 11.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.453 1.095 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.457 ' OD1' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -55.35 -25.82 37.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.489 1.118 . . . . 0.0 109.277 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -112.49 123.15 49.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.58 1.175 . . . . 0.0 109.251 -179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.418 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 15.6 m -69.87 110.44 4.99 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.433 1.083 . . . . 0.0 110.374 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -59.96 147.76 37.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.528 1.143 . . . . 0.0 108.339 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.456 ' HA ' HD23 ' A' ' 468' ' ' LEU . 9.5 mt -154.95 80.31 1.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.461 1.1 . . . . 0.0 109.292 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -65.39 127.1 30.41 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.397 1.061 . . . . 0.0 109.332 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.482 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.9 OUTLIER -122.95 179.0 4.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.597 1.186 . . . . 0.0 110.332 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.556 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -62.84 123.7 16.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.608 1.193 . . . . 0.0 109.314 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.65 28.11 0.06 OUTLIER Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.548 1.155 . . . . 0.0 110.953 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.482 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.49 156.75 10.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 0.742 . . . . 0.0 110.313 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.583 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.84 148.5 38.92 Favored 'General case' 0 C--N 1.327 -0.406 0 O-C-N 124.586 1.179 . . . . 0.0 110.962 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.43 ' C ' ' CD ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -134.39 154.89 51.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.273 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.547 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 24.5 p -138.82 124.7 19.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 108.327 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.447 HD13 ' HA ' ' A' ' 477' ' ' ILE . 2.1 mm -78.21 113.37 17.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.565 1.166 . . . . 0.0 109.369 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.73 -177.59 3.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.428 1.08 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 6.5 mmt -83.91 148.7 54.68 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.0 54.87 3.77 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.55 1.816 . . . . 0.0 111.083 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -174.13 -41.11 0.04 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.508 1.13 . . . . 0.0 110.938 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -103.73 121.23 42.56 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.61 0.829 . . . . 0.0 111.068 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.588 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 3.6 tt0 -160.23 176.77 11.36 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.397 1.06 . . . . 0.0 110.303 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 151.09 -162.11 29.33 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.581 1.176 . . . . 0.0 110.998 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.792 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -57.24 -29.83 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.557 0.798 . . . . 0.0 109.289 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.792 ' CD2' HG13 ' A' ' 485' ' ' VAL . 24.7 m170 -108.55 -12.47 14.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.453 1.095 . . . . 0.0 109.666 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.437 ' SG ' ' CG ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 77.57 12.7 1.96 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.596 1.185 . . . . 0.0 108.319 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.435 ' HG2' ' NE2' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -124.6 28.33 6.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.277 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.588 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 77.6 t -108.66 130.24 61.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.206 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.413 ' O ' ' O ' ' A' ' 491' ' ' THR . 19.5 t-20 -63.36 132.02 50.17 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.247 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 490' ' ' ASN . 4.5 t -39.42 160.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 0.0 110.402 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -73.06 170.39 15.0 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.298 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -146.54 30.83 0.99 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.542 1.151 . . . . 0.0 110.215 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 53.5 m -107.54 -26.41 10.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 108.279 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -64.21 -16.74 62.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 4.9 m -134.68 55.07 1.91 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.454 1.096 . . . . 0.0 110.046 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 78.8 p -179.03 85.42 0.21 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 110.045 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.419 ' C ' ' H ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -75.0 78.63 2.85 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.532 1.806 . . . . 0.0 110.924 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 11.2 m -67.12 -3.34 7.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 108.31 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.516 ' HA ' HD12 ' A' ' 500' ' ' LEU . 1.4 tp 46.28 -156.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.338 1.024 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -90.59 19.75 5.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.614 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.4 p-10 -102.37 3.69 38.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.561 1.163 . . . . 0.0 109.286 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.419 ' CA ' ' O ' ' A' ' 515' ' ' GLU . . . 171.77 172.33 37.66 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.584 1.178 . . . . 0.0 111.006 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.47 ' HB2' ' CG ' ' A' ' 515' ' ' GLU . 26.1 mmt85 -125.06 113.85 18.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.419 0.717 . . . . 0.0 110.291 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 3.9 p -68.3 114.18 6.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.107 . . . . 0.0 108.352 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 1.4 mp -89.6 136.15 33.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.349 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -96.8 83.82 3.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 28.3 mtmt -85.08 159.42 20.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.434 1.084 . . . . 0.0 109.328 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 2.1 mp -84.85 64.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 O-C-N 124.543 1.152 . . . . 0.0 109.319 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 2.4 t30 172.42 -35.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.452 1.095 . . . . 0.0 109.359 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -172.17 178.76 2.8 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.154 . . . . 0.0 110.288 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.466 ' CZ ' ' HB2' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -105.09 144.68 31.55 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.422 1.076 . . . . 0.0 110.977 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -128.63 122.17 30.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.565 1.166 . . . . 0.0 110.408 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . 0.466 ' HB2' ' CZ ' ' A' ' 512' ' ' PHE . 16.9 t -91.96 98.93 11.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 108.299 -179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.47 ' CG ' ' HB2' ' A' ' 504' ' ' ARG . 3.2 pt-20 -83.13 -173.19 4.56 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.288 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -99.55 148.93 35.39 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 108.295 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -64.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.485 1.782 . . . . 0.0 110.974 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 525' ' ' CYS . 1.0 OUTLIER -162.8 -63.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.435 1.084 . . . . 0.0 110.425 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 172.67 37.5 0.03 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.988 ' CD2' HG23 ' A' ' 521' ' ' THR . 0.9 OUTLIER -157.79 167.01 31.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 0.759 . . . . 0.0 110.977 -179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.988 HG23 ' CD2' ' A' ' 520' ' ' PHE . 40.1 p 48.96 77.86 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.421 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 65.99 139.06 0.03 OUTLIER Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.47 1.106 . . . . 0.0 110.959 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 79.04 122.82 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.399 0.705 . . . . 0.0 109.632 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -96.04 124.45 40.05 Favored 'General case' 0 C--N 1.323 -0.562 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 518' ' ' THR . 2.4 m -135.78 126.65 27.56 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 108.301 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.108 . . . . 0.0 110.257 -179.89 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . 0.485 ' N ' HD21 ' A' ' 433' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.454 -0.267 0 N-CA-C 110.375 -0.231 . . . . 0.0 110.375 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.413 ' HB2' HD23 ' A' ' 433' ' ' LEU . 15.8 t70 -132.68 -179.97 5.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.439 1.087 . . . . 0.0 109.359 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.826 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.6 p -87.86 150.15 3.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.583 1.177 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.401 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 31.7 t0 -85.76 76.62 9.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.824 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -59.29 -13.33 7.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.574 1.171 . . . . 0.0 110.371 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -84.23 -14.58 49.59 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 108.36 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.57 -13.03 12.8 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.508 1.13 . . . . 0.0 109.978 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.826 HD11 ' CG2' ' A' ' 413' ' ' VAL . 8.4 mt -73.32 -89.45 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.155 . . . . 0.0 109.246 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -147.78 17.17 1.42 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 110.965 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -124.86 83.57 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.799 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.41 ' CG ' ' SG ' ' A' ' 429' ' ' CYS . 0.2 OUTLIER -116.79 108.3 44.89 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.51 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.06 -39.63 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.489 1.784 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 6.1 m -44.76 -24.8 0.23 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 0.0 108.251 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.51 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 0.0 OUTLIER 72.38 -88.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.338 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.51 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 4.3 p80 -144.84 34.9 1.13 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.165 . . . . 0.0 109.61 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.907 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 179.41 101.01 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 109.311 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 153.1 174.27 23.28 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.537 1.148 . . . . 0.0 110.921 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.499 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -97.52 126.58 42.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.451 0.736 . . . . 0.0 109.34 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.758 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -113.01 110.72 20.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 108.269 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.783 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -114.34 168.86 5.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.148 . . . . 0.0 109.303 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.462 ' OD1' ' N ' ' A' ' 432' ' ' THR . 13.6 t30 -108.61 135.2 50.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 0.0 109.251 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -125.35 163.31 22.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.447 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.485 HD21 ' N ' ' A' ' 411' ' ' GLN . 4.1 mt -71.92 122.54 20.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.239 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.36 -44.79 3.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.504 1.127 . . . . 0.0 110.978 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.7 m -133.33 168.75 18.01 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.988 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.402 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 19.6 p90 -101.33 147.86 25.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 111.009 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.463 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.8 tt0 -113.3 145.36 41.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.499 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.9 t -142.69 125.99 16.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 108.364 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.676 ' HG3' HD11 ' A' ' 430' ' ' ILE . 29.2 mt-30 -82.83 154.7 24.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.309 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.449 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.6 m -85.58 165.84 16.73 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.418 1.073 . . . . 0.0 108.283 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 1.085 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -149.32 143.59 25.91 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.469 ' H ' ' NE2' ' A' ' 442' ' ' GLN . 0.0 OUTLIER 54.5 -98.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.292 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.54 72.15 0.37 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.592 1.182 . . . . 0.0 111.072 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.907 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -102.25 159.73 15.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 0.788 . . . . 0.0 110.989 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.929 HG23 HG22 ' A' ' 451' ' ' ILE . 1.4 t -104.06 -117.83 0.21 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.899 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 85.67 161.15 34.42 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.436 1.085 . . . . 0.0 110.955 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . 0.436 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -75.08 -35.5 3.05 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.534 1.808 . . . . 0.0 110.961 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.608 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -109.61 -5.22 15.75 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.598 1.186 . . . . 0.0 110.374 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.608 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 2.4 t 96.62 71.14 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.582 1.176 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.84 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.3 pm0 -166.16 26.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 1.152 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.929 HG22 HG23 ' A' ' 445' ' ' THR . 1.9 mp -130.18 145.97 34.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.157 . . . . 0.0 109.308 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.526 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -98.7 129.42 45.16 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.465 1.103 . . . . 0.0 109.406 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.471 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.2 OUTLIER -97.37 163.8 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.439 1.087 . . . . 0.0 109.312 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.897 ' O ' HG13 ' A' ' 457' ' ' VAL . 35.9 t-20 -102.01 95.14 6.16 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.141 . . . . 0.0 109.38 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.464 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 19.2 mp0 -60.72 -9.81 4.49 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 110.258 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.48 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -85.76 10.5 13.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.437 1.086 . . . . 0.0 108.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.897 HG13 ' O ' ' A' ' 454' ' ' ASN . 24.2 m -86.22 -32.15 6.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.55 1.156 . . . . 0.0 109.324 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 74.3 m -115.61 -2.15 12.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.987 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -145.73 57.99 4.53 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.545 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.08 -6.02 17.48 Favored 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.495 1.787 . . . . 0.0 110.967 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.984 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 73.11 22.48 2.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.444 1.09 . . . . 0.0 108.319 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.449 ' NE2' ' HB3' ' A' ' 488' ' ' GLU . 2.9 pt20 43.39 -147.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.448 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.9 m-80 -99.1 41.04 1.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.586 1.179 . . . . 0.0 109.241 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.429 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.3 OUTLIER -136.92 25.74 3.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 109.359 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.984 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 179.2 145.35 0.16 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.419 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.6 m -82.36 109.33 16.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 110.366 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.9 t -61.84 146.2 50.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 108.291 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 468' ' ' LEU . 10.1 mt -160.9 88.78 0.78 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.587 1.179 . . . . 0.0 109.22 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.61 138.84 57.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.555 1.159 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.542 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -125.86 -169.15 1.96 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 0.0 110.333 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.545 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -71.03 119.98 18.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 109.234 -179.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.99 22.28 0.3 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.52 1.137 . . . . 0.0 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.542 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.2 OUTLIER -168.5 153.23 6.17 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.481 0.753 . . . . 0.0 110.379 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 9.4 p90 -124.06 161.15 26.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 111.033 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.408 ' O ' ' HB2' ' A' ' 468' ' ' LEU . 0.4 OUTLIER -140.83 136.97 32.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.347 179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.419 ' HA ' ' O ' ' A' ' 466' ' ' THR . 14.3 p -128.15 112.43 14.54 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.491 1.119 . . . . 0.0 108.259 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.401 ' HA ' HD13 ' A' ' 477' ' ' ILE . 17.4 mm -79.42 119.98 29.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.69 -177.42 3.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 108.296 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 11.2 mmt -85.21 148.01 49.0 Favored Pre-proline 0 C--N 1.324 -0.528 0 O-C-N 124.502 1.126 . . . . 0.0 110.999 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 54.64 3.71 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.455 1.766 . . . . 0.0 111.049 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -147.46 -40.47 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.521 1.138 . . . . 0.0 111.022 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 72.3 m-85 -101.95 171.28 7.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.471 0.748 . . . . 0.0 111.119 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.515 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.9 OUTLIER -154.08 -176.95 6.1 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.26 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 105.43 -173.86 20.7 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.546 1.154 . . . . 0.0 110.99 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.485 HG12 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -79.43 -24.21 12.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.443 0.731 . . . . 0.0 109.265 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.485 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -99.45 -7.87 25.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.403 1.064 . . . . 0.0 109.6 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.606 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 22.3 m 60.85 15.21 5.77 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.537 1.148 . . . . 0.0 108.305 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.449 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.4 OUTLIER -107.49 6.53 28.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.515 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 3.5 t -88.39 104.81 15.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.143 . . . . 0.0 109.23 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 491' ' ' THR . 17.2 t-20 -67.14 143.31 56.69 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.58 1.175 . . . . 0.0 109.264 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.407 ' C ' ' O ' ' A' ' 490' ' ' ASN . 13.7 t -38.46 157.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 110.351 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.33 150.36 24.81 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.488 ' CG ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -138.54 24.5 2.67 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.294 179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 9.6 t -68.42 -10.53 55.86 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 108.254 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.67 -14.89 35.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.392 1.058 . . . . 0.0 109.298 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.3 m -109.22 97.61 7.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 110.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 4.6 m 63.6 91.56 0.08 OUTLIER Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.645 1.216 . . . . 0.0 110.023 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.03 -22.2 14.99 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.477 1.777 . . . . 0.0 111.003 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.419 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 40.13 57.39 2.41 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.452 1.095 . . . . 0.0 108.31 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.56 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 0.9 OUTLIER -87.57 161.84 17.51 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.401 1.063 . . . . 0.0 109.36 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.56 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 32.1 m170 69.76 -58.57 0.52 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.414 1.071 . . . . 0.0 109.646 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 500' ' ' LEU . 12.7 p30 -85.31 4.03 36.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.539 1.149 . . . . 0.0 109.334 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . 172.5 178.88 42.95 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.538 1.149 . . . . 0.0 110.971 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -129.47 116.9 19.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 31.3 p -70.77 114.4 8.81 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 108.277 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -103.01 131.35 50.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.275 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -93.24 92.62 7.81 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.422 1.076 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt -96.98 165.68 11.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.388 1.055 . . . . 0.0 109.296 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . . . . . . . . . 1.4 mp -57.27 -65.75 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.589 1.181 . . . . 0.0 109.268 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -47.74 -69.13 0.13 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.285 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.22 -160.02 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.275 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.598 ' CD1' ' O ' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -104.71 144.76 31.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.412 1.07 . . . . 0.0 110.988 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.89 117.13 15.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.301 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 75.2 m -83.16 97.72 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 108.238 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.4 pt-20 -66.63 -176.32 0.46 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.349 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.38 142.49 24.7 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.327 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.458 ' HB2' ' CD2' ' A' ' 520' ' ' PHE . 18.4 Cg_endo -74.96 107.64 2.53 Favored 'Trans proline' 0 C--N 1.359 1.094 0 O-C-N 124.586 1.835 . . . . 0.0 111.029 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 10.5 t -126.79 -39.51 1.97 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.335 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -60.05 -15.51 36.53 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.602 ' O ' ' CD1' ' A' ' 520' ' ' PHE . 1.0 OUTLIER -82.92 9.53 9.82 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 0.76 . . . . 0.0 111.017 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.415 ' O ' ' O ' ' A' ' 520' ' ' PHE . 42.1 p 48.39 99.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.418 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.573 ' HA3' ' CZ ' ' A' ' 520' ' ' PHE . . . -157.59 -97.63 0.13 Allowed Glycine 0 CA--C 1.529 0.915 0 O-C-N 124.601 1.188 . . . . 0.0 111.079 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.623 ' HB3' HD12 ' A' ' 524' ' ' LEU . 0.1 OUTLIER 179.24 -179.86 0.41 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 0.749 . . . . 0.0 109.598 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.623 HD12 ' HB3' ' A' ' 523' ' ' HIS . 6.2 mp 61.85 57.87 2.07 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.555 1.159 . . . . 0.0 109.231 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER 177.19 -64.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 108.311 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.286 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -139.03 178.98 6.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 1.143 . . . . 0.0 109.251 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.71 151.18 3.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.538 1.149 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.488 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 18.0 t0 -87.75 78.26 8.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.533 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mt-10 -55.05 -14.68 1.64 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.511 1.132 . . . . 0.0 110.298 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.06 -22.08 24.38 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.418 1.074 . . . . 0.0 108.254 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.488 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 20.0 t -76.28 -30.58 57.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.452 1.095 . . . . 0.0 109.961 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.588 HD23 ' N ' ' A' ' 418' ' ' LEU . 2.7 mt -46.84 -77.48 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.575 0 O-C-N 124.491 1.12 . . . . 0.0 109.23 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 176.01 33.08 0.04 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.132 . . . . 0.0 111.026 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.96 89.53 3.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 0.769 . . . . 0.0 109.355 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -94.44 118.2 66.99 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.525 1.141 . . . . 0.0 109.382 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.434 ' HG2' ' CB ' ' A' ' 438' ' ' CYS . 18.2 Cg_endo -74.92 -49.41 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.491 1.785 . . . . 0.0 110.98 -179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.475 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 71.9 m -59.76 -12.34 7.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 108.254 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.475 ' CB ' ' O ' ' A' ' 423' ' ' CYS . 2.3 mt-10 84.05 -66.93 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 1.162 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 7.0 p80 -161.03 -41.7 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.614 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.603 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -86.01 76.95 9.75 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.933 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 173.68 -179.02 45.34 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.451 1.094 . . . . 0.0 111.028 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.562 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -114.79 131.72 56.71 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.595 0.82 . . . . 0.0 109.211 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.627 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -111.34 122.89 49.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.567 1.167 . . . . 0.0 108.346 179.941 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.807 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -122.05 171.17 11.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.559 1.162 . . . . 0.0 109.309 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.451 ' OD1' ' N ' ' A' ' 432' ' ' THR . 12.6 t30 -107.48 134.21 50.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.236 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.451 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -123.05 171.05 9.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 110.357 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.3 mt -77.89 122.2 25.16 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.248 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.95 -44.67 3.36 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.506 1.128 . . . . 0.0 111.013 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 6.3 m -132.59 174.47 10.25 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.486 0.757 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -104.46 146.14 29.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.608 1.193 . . . . 0.0 111.023 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.564 ' O ' ' N ' ' A' ' 430' ' ' ILE . 8.5 tt0 -113.88 150.69 33.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.345 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.461 ' HB3' ' HB3' ' A' ' 450' ' ' GLU . 3.5 t -144.18 125.37 14.6 Favored 'General case' 0 C--N 1.327 -0.411 0 O-C-N 124.529 1.143 . . . . 0.0 108.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.807 ' HG3' HD11 ' A' ' 430' ' ' ILE . 44.3 mt-30 -70.81 149.51 46.77 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.545 1.153 . . . . 0.0 110.286 -179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.444 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.9 m -82.5 158.45 23.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.566 1.166 . . . . 0.0 108.213 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.933 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -119.19 104.43 10.41 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.617 1.198 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.554 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 69.29 -94.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.491 1.12 . . . . 0.0 110.245 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -128.33 76.35 0.41 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.555 1.159 . . . . 0.0 110.986 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.603 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.9 m-85 -103.9 160.91 14.4 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 0.73 . . . . 0.0 111.03 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.91 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.1 t -102.47 -121.58 0.18 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.366 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.786 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.44 162.63 37.28 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.462 1.101 . . . . 0.0 111.055 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 -30.64 6.99 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 111.035 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.633 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 31.2 mmm180 -116.67 -6.8 11.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.093 . . . . 0.0 110.33 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.633 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.7 t 100.27 71.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.592 1.182 . . . . 0.0 108.301 -179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 1.025 ' C ' HD12 ' A' ' 451' ' ' ILE . 2.9 pm0 -163.03 21.63 0.09 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 110.299 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 1.025 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.8 mp -128.76 146.8 33.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 O-C-N 124.443 1.089 . . . . 0.0 109.239 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.524 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 18.8 t70 -97.69 125.18 42.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.562 1.164 . . . . 0.0 109.329 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.55 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.9 p -97.84 168.82 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.55 ' N ' HG22 ' A' ' 453' ' ' VAL . 34.6 t-20 -101.9 105.83 16.69 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 109.252 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.521 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.3 pm0 -85.82 -16.85 37.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.546 1.154 . . . . 0.0 110.338 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -87.77 10.56 17.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.614 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -76.44 -57.2 6.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.52 1.138 . . . . 0.0 109.307 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.614 ' N ' HG12 ' A' ' 457' ' ' VAL . 8.8 t -90.58 3.27 54.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 0.0 109.961 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.684 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.59 49.96 1.92 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.436 1.085 . . . . 0.0 109.269 -179.915 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.684 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.97 4.98 4.25 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.406 1.74 . . . . 0.0 110.973 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 1.038 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 80.17 21.93 0.49 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 108.258 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.433 ' NE2' ' HB2' ' A' ' 486' ' ' HIS . 28.1 mt-30 69.03 -112.46 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.547 1.154 . . . . 0.0 110.269 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -137.11 13.4 3.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.14 . . . . 0.0 109.386 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.592 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -118.37 43.65 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.297 -179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 1.038 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 169.83 149.69 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.585 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.435 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.0 m -97.71 108.95 21.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.409 1.068 . . . . 0.0 110.404 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.561 ' CB ' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -70.39 133.29 46.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.559 1.162 . . . . 0.0 108.359 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.5 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.8 mt -126.46 88.04 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.265 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.01 121.07 13.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 0.0 109.303 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -117.79 -171.33 2.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 110.328 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.594 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -73.27 123.31 27.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.472 1.107 . . . . 0.0 109.29 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 40.83 25.91 0.13 Allowed Glycine 0 CA--C 1.531 1.071 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.0 OUTLIER -166.64 154.11 9.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 0.789 . . . . 0.0 110.306 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.521 ' HB3' ' CG ' ' A' ' 455' ' ' GLU . 0.1 OUTLIER -142.89 151.69 41.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 111.001 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' A' ' 468' ' ' LEU . 6.4 pt20 -144.08 134.77 24.97 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.509 1.131 . . . . 0.0 110.31 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.435 ' HA ' ' O ' ' A' ' 466' ' ' THR . 0.9 OUTLIER -109.71 126.47 53.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 108.277 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.764 HD12 ' N ' ' A' ' 477' ' ' ILE . 1.8 mp -87.49 109.7 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.47 1.106 . . . . 0.0 109.256 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . 0.495 ' HB3' ' HB2' ' A' ' 465' ' ' ALA . 0.0 OUTLIER -109.71 -176.74 3.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 1.099 . . . . 0.0 108.264 179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 19.5 mmt -84.28 151.84 60.29 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 111.004 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 56.02 4.1 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.793 . . . . 0.0 110.907 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.76 -43.58 0.03 OUTLIER Glycine 0 CA--C 1.528 0.892 0 O-C-N 124.481 1.113 . . . . 0.0 111.035 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 48.6 m-85 -108.88 170.47 8.02 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 0.733 . . . . 0.0 110.952 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.686 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.6 OUTLIER -157.29 -179.96 8.69 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.548 1.155 . . . . 0.0 110.354 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 117.41 -163.22 12.7 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.097 . . . . 0.0 110.991 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -78.11 -36.85 21.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.511 0.771 . . . . 0.0 109.277 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.495 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -107.5 9.9 29.47 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.481 1.113 . . . . 0.0 109.575 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.421 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 98.4 m 41.22 50.41 3.38 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.517 1.136 . . . . 0.0 108.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.604 ' O ' HG23 ' A' ' 509' ' ' ILE . 3.7 tp10 -126.73 0.65 6.75 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.651 1.219 . . . . 0.0 110.28 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.686 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -90.09 129.63 40.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.426 ' O ' ' O ' ' A' ' 491' ' ' THR . 14.1 p30 -75.3 92.5 2.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.385 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.426 ' O ' ' O ' ' A' ' 490' ' ' ASN . 89.0 m 53.59 168.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.514 1.134 . . . . 0.0 110.419 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.418 ' N ' HG22 ' A' ' 491' ' ' THR . 0.6 OUTLIER -89.71 166.65 13.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.241 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.466 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 36.7 mp0 -148.82 30.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.302 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.568 ' HB2' ' CD2' ' A' ' 512' ' ' PHE . 0.8 OUTLIER -140.47 31.03 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.24 -15.14 61.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.382 1.051 . . . . 0.0 109.348 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -97.43 -41.58 8.14 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.042 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -108.09 102.24 45.17 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.451 1.094 . . . . 0.0 109.933 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.477 ' O ' ' HB2' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -75.08 -12.67 21.37 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.462 1.77 . . . . 0.0 110.979 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 77.4 m 70.98 -54.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 108.365 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.49 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER 78.96 -157.72 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 42.3 m-70 -81.54 5.37 18.14 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.558 1.161 . . . . 0.0 109.659 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -98.29 2.15 47.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.421 ' O ' ' O ' ' A' ' 500' ' ' LEU . . . 175.0 159.74 21.74 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 110.95 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.475 ' HB3' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -116.04 113.77 23.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 0.0 110.296 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.96 ' SG ' ' SG ' ' A' ' 499' ' ' CYS . 0.1 OUTLIER -78.64 104.65 9.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 108.245 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.56 ' O ' ' CD2' ' A' ' 512' ' ' PHE . 1.4 mp -78.29 144.17 36.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.614 ' CG ' HG21 ' A' ' 489' ' ' VAL . 14.1 t0 -105.25 81.67 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.279 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 11.2 mttt -82.98 161.68 21.69 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.604 HG23 ' O ' ' A' ' 488' ' ' GLU . 0.3 OUTLIER -82.38 71.09 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.448 1.093 . . . . 0.0 109.338 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.424 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.4 OUTLIER 163.98 -40.92 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -169.5 175.43 5.45 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.568 1.168 . . . . 0.0 110.238 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.568 ' CD2' ' HB2' ' A' ' 494' ' ' CYS . 0.7 OUTLIER -104.22 145.23 30.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 111.017 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -130.32 108.89 10.34 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.466 1.104 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 5.1 t -75.98 106.38 7.54 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 124.431 1.082 . . . . 0.0 108.3 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.475 ' CG ' ' HB3' ' A' ' 504' ' ' ARG . 3.3 pt-20 -92.44 -162.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -98.54 142.2 24.2 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.329 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.526 ' HG2' ' CE1' ' A' ' 520' ' ' PHE . 18.4 Cg_endo -74.95 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.536 1.809 . . . . 0.0 110.954 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.675 HG23 ' O ' ' A' ' 518' ' ' THR . 12.1 t -174.35 52.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.601 1.188 . . . . 0.0 110.37 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -149.52 -55.31 0.01 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.491 1.12 . . . . 0.0 111.08 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.589 ' O ' ' CD2' ' A' ' 520' ' ' PHE . 34.2 p90 -39.15 99.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 0.764 . . . . 0.0 111.021 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 29.0 p -63.9 105.09 0.78 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.614 1.197 . . . . 0.0 110.452 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.413 ' O ' ' CB ' ' A' ' 523' ' ' HIS . . . -177.82 -106.6 0.2 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.452 1.095 . . . . 0.0 110.998 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.413 ' CB ' ' O ' ' A' ' 522' ' ' GLY . 0.0 OUTLIER 168.95 97.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 0.768 . . . . 0.0 109.557 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -165.28 48.66 0.09 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.476 1.11 . . . . 0.0 109.198 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 40.1 t -177.16 161.84 1.91 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 108.229 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.438 0 O-C-N 124.454 1.096 . . . . 0.0 110.297 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.462 ' HB2' HD23 ' A' ' 433' ' ' LEU . 13.6 t70 -138.29 -179.11 5.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.512 HG13 ' CD1' ' A' ' 418' ' ' LEU . 0.5 OUTLIER -90.54 155.33 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . . . . . . . . . 36.3 t0 -87.99 77.14 8.49 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.509 1.13 . . . . 0.0 109.271 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.699 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.0 mp0 -58.44 -15.77 12.26 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -81.13 -19.03 44.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.442 1.089 . . . . 0.0 108.275 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 2.7 t -104.27 -20.35 13.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.699 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.8 mt -68.75 -81.6 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -160.46 25.23 0.28 Allowed Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.566 1.166 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.527 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -125.35 77.49 1.64 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.426 0.721 . . . . 0.0 109.358 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.414 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 2.7 t30 -116.0 106.07 50.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.482 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.3 Cg_endo -74.99 -40.1 1.0 Allowed 'Trans proline' 0 C--N 1.359 1.096 0 O-C-N 124.541 1.811 . . . . 0.0 110.956 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.428 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 84.0 m -50.47 -18.42 0.65 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 108.306 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.482 ' N ' ' C ' ' A' ' 422' ' ' PRO . 5.7 mt-10 77.59 -75.47 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.376 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.699 ' CE1' HG21 ' A' ' 471' ' ' ILE . 1.5 p80 -143.04 -43.55 0.3 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.128 . . . . 0.0 109.572 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.755 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -97.82 108.12 20.77 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.273 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.11 169.88 19.44 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.536 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -103.47 121.14 42.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 0.746 . . . . 0.0 109.295 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.731 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -111.56 115.42 29.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.431 1.082 . . . . 0.0 108.286 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.781 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.38 170.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.372 1.045 . . . . 0.0 109.333 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.479 ' OD1' ' N ' ' A' ' 432' ' ' THR . 9.6 t30 -106.14 132.26 52.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.492 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -122.5 169.3 11.14 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.352 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.462 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.3 mt -76.94 121.39 23.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.231 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 83.02 -43.77 3.17 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.529 1.143 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.492 ' O ' ' CB ' ' A' ' 432' ' ' THR . 11.1 m -132.86 168.24 18.76 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 0.788 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 30.0 p90 -101.6 144.94 29.71 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.151 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.578 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.9 tt0 -108.62 144.6 36.14 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.475 1.109 . . . . 0.0 110.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.497 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 19.0 t -142.26 125.35 16.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 108.301 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.743 ' HG3' HD11 ' A' ' 430' ' ' ILE . 5.8 mt-30 -86.69 160.64 18.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.416 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.8 m -84.24 174.64 10.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.581 1.176 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.649 HD22 ' O ' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -155.8 126.59 6.92 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.443 1.089 . . . . 0.0 109.258 179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.503 ' HB2' HD22 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 67.26 -98.02 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.5 1.125 . . . . 0.0 110.281 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -142.18 71.21 0.41 Allowed Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.755 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.5 m-85 -104.59 160.64 14.78 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 0.777 . . . . 0.0 110.926 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.807 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.4 t -103.32 -121.25 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.551 1.157 . . . . 0.0 110.46 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.754 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.13 155.61 19.48 Favored Glycine 0 CA--C 1.528 0.896 0 O-C-N 124.511 1.132 . . . . 0.0 111.054 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -28.27 9.28 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.396 1.735 . . . . 0.0 110.965 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.567 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.6 mmt180 -109.72 -6.63 15.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.307 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.567 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.0 OUTLIER 92.76 60.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 0.0 108.264 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.726 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -158.08 24.63 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 110.334 -179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.807 ' O ' ' N ' ' A' ' 445' ' ' THR . 32.8 mm -124.42 147.88 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.241 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.541 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.0 122.48 42.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.577 1.173 . . . . 0.0 109.249 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.502 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.22 166.5 2.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.502 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 49.7 t-20 -102.24 109.45 21.13 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.519 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.2 pm0 -86.53 -19.49 29.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.365 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 3.0 p -87.13 8.34 24.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 108.277 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.619 HG12 ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -73.64 -57.8 6.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.32 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.619 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -95.85 4.87 52.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 110.054 179.969 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.674 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -141.51 50.38 1.81 Allowed Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.592 1.182 . . . . 0.0 109.268 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.674 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -74.97 4.56 4.61 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.495 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 1.0 OUTLIER 73.31 20.1 3.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.369 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.413 ' NE2' ' HB2' ' A' ' 488' ' ' GLU . 0.5 OUTLIER 78.12 -173.16 0.07 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.24 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -68.29 -42.45 79.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.685 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.9 t70 -73.63 64.56 0.91 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.685 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 163.35 131.58 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 3.3 m -86.09 122.55 30.27 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.517 1.135 . . . . 0.0 110.457 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -81.55 123.44 28.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 108.36 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.406 HD23 ' O ' ' A' ' 467' ' ' CYS . 11.9 mt -123.19 79.94 1.72 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -64.73 120.9 13.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.416 1.072 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.5 -177.0 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.59 1.181 . . . . 0.0 110.356 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.699 HG21 ' CE1' ' A' ' 425' ' ' HIS . 0.5 OUTLIER -64.92 122.18 15.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.414 179.916 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.415 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.74 28.2 0.06 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.571 1.17 . . . . 0.0 111.009 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.457 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.4 OUTLIER -165.84 154.99 11.8 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 0.766 . . . . 0.0 110.292 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.533 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.16 154.91 45.22 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.449 1.093 . . . . 0.0 110.965 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.702 HE21 HD11 ' A' ' 477' ' ' ILE . 6.2 pt20 -143.82 134.42 24.93 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.489 1.118 . . . . 0.0 110.303 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 17.7 p -115.97 133.46 56.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 108.328 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.702 HD11 HE21 ' A' ' 475' ' ' GLN . 10.9 mm -96.46 157.64 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.271 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -108.55 166.2 10.96 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.543 1.152 . . . . 0.0 108.262 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 3.5 mmt -112.94 150.11 42.33 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.153 . . . . 0.0 111.068 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 69.32 5.58 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.485 1.781 . . . . 0.0 111.069 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -168.77 -40.67 0.03 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.577 1.173 . . . . 0.0 110.983 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.576 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 34.1 m-85 -120.22 170.29 9.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 0.786 . . . . 0.0 111.026 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.602 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.1 OUTLIER -150.37 -179.06 6.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.444 1.09 . . . . 0.0 110.298 -179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.64 -161.29 12.75 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 0.0 111.015 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.709 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -80.55 -34.49 14.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.709 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 9.8 m170 -107.4 -5.7 17.56 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.577 1.173 . . . . 0.0 109.553 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.422 ' HA ' ' C ' ' A' ' 483' ' ' GLU . 0.1 OUTLIER 59.87 34.35 21.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 1.157 . . . . 0.0 108.257 179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.413 ' HB2' ' NE2' ' A' ' 462' ' ' GLN . 40.2 tp10 -103.61 -3.58 24.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.981 ' HA ' HG22 ' A' ' 509' ' ' ILE . 0.7 OUTLIER -88.7 117.2 31.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.34 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.576 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 18.5 p30 -77.27 89.54 3.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.655 HG23 ' N ' ' A' ' 492' ' ' ASP . 0.7 OUTLIER 40.36 -169.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.541 1.151 . . . . 0.0 110.414 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.655 ' N ' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -72.48 175.76 5.98 Favored 'General case' 0 C--N 1.323 -0.564 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.461 ' OE1' ' CA ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -134.5 27.81 3.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.577 1.173 . . . . 0.0 110.251 -179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 17.0 m -126.01 32.98 5.14 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.632 1.208 . . . . 0.0 108.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.91 -14.08 61.83 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.319 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.2 m -95.31 -63.11 1.2 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.413 1.071 . . . . 0.0 110.039 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.78 93.11 36.5 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 109.999 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.503 ' O ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.98 89.35 1.16 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.536 1.808 . . . . 0.0 110.992 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.403 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.4 m -68.33 58.91 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 108.256 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.912 HD22 ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -100.87 113.44 26.38 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.283 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.624 ' CG ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m170 157.14 -83.55 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.095 . . . . 0.0 109.6 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -102.52 4.28 38.41 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.361 1.038 . . . . 0.0 109.224 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -140.39 157.75 25.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.449 1.093 . . . . 0.0 111.005 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' HD3' ' HA ' ' A' ' 517' ' ' PRO . 0.3 OUTLIER -119.86 113.33 20.42 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.533 0.784 . . . . 0.0 110.344 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 514' ' ' CYS . 1.7 m -72.03 110.46 6.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 2.9 mt -82.47 131.43 35.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.138 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.538 ' OD1' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -84.18 91.6 7.74 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.226 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -107.92 139.56 42.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 1.108 . . . . 0.0 109.332 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.981 HG22 ' HA ' ' A' ' 489' ' ' VAL . 2.4 pp -48.39 108.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.296 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.461 ' CA ' ' OE1' ' A' ' 493' ' ' GLU . 23.0 m-20 54.49 58.65 4.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . 0.441 ' CB ' ' O ' ' A' ' 510' ' ' ASN . 2.1 mt-10 164.9 137.55 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.45 1.094 . . . . 0.0 110.301 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.455 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 13.1 p90 -121.55 145.16 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.42 108.52 10.62 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.445 1.091 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . 0.471 ' SG ' ' SG ' ' A' ' 505' ' ' CYS . 29.4 m -82.24 67.21 8.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 108.408 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.2 OUTLIER -68.09 -147.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 110.233 -179.841 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . 0.443 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -98.7 142.47 24.65 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 108.304 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.43 ' HA ' ' HD3' ' A' ' 504' ' ' ARG . 18.2 Cg_endo -74.98 -162.01 0.14 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.436 1.756 . . . . 0.0 110.983 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 22.2 m -158.55 -42.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.448 1.093 . . . . 0.0 110.386 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -86.42 39.98 3.06 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.475 ' CE1' ' O ' ' A' ' 522' ' ' GLY . 2.0 p90 -83.8 5.7 24.06 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.463 0.743 . . . . 0.0 111.015 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.43 ' C ' ' O ' ' A' ' 520' ' ' PHE . 63.3 p 36.6 79.26 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.475 ' O ' ' CE1' ' A' ' 520' ' ' PHE . . . 151.05 96.79 0.15 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.461 1.1 . . . . 0.0 111.027 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -39.81 115.32 0.51 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 109.55 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 524' ' ' LEU . 0.3 OUTLIER -155.76 -75.1 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.559 1.162 . . . . 0.0 109.281 179.89 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.93 154.05 20.54 Favored 'General case' 0 C--N 1.327 -0.396 0 O-C-N 124.477 1.111 . . . . 0.0 108.267 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 16.8 tp60 . . . . . 0 C--N 1.324 -0.532 0 O-C-N 124.459 1.099 . . . . 0.0 110.354 -179.982 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 30.4 mt-30 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -140.05 179.58 6.54 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.381 1.051 . . . . 0.0 109.267 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.456 HG12 ' OE1' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -84.49 148.48 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.265 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.467 ' HB3' ' CB ' ' A' ' 417' ' ' SER . 14.8 t0 -89.16 78.74 7.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.095 . . . . 0.0 109.299 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.466 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.1 mp0 -57.33 -10.8 1.47 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.293 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.519 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.0 OUTLIER -92.74 -18.08 23.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.434 1.084 . . . . 0.0 108.338 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.467 ' CB ' ' HB3' ' A' ' 414' ' ' ASP . 9.1 t -83.14 -27.8 29.85 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.373 1.045 . . . . 0.0 109.947 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.47 HD23 ' N ' ' A' ' 418' ' ' LEU . 5.2 mt -40.64 -50.84 3.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . 143.51 -13.66 2.25 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.572 1.17 . . . . 0.0 110.942 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -88.69 77.82 7.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.789 . . . . 0.0 109.322 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.402 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 1.6 t30 -81.95 115.1 55.3 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.582 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -74.98 -36.1 2.76 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.56 1.821 . . . . 0.0 111.068 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.489 ' HB3' ' HA3' ' A' ' 427' ' ' GLY . 3.2 m -45.71 -20.8 0.09 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 0.0 108.361 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.56 ' O ' ' CD2' ' A' ' 425' ' ' HIS . 15.7 mt-10 85.89 -72.54 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.497 1.123 . . . . 0.0 110.24 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.56 ' CD2' ' O ' ' A' ' 424' ' ' GLU . 60.6 m-70 -159.98 -40.96 0.05 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.637 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.477 ' CB ' ' HB ' ' A' ' 471' ' ' ILE . . . -95.77 81.73 3.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.551 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 172.6 172.66 38.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.512 1.133 . . . . 0.0 111.101 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.65 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.1 OUTLIER -110.38 140.21 44.82 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 0.746 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.749 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -116.52 108.62 16.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.128 . . . . 0.0 108.286 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.762 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.2 171.33 4.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 O-C-N 124.535 1.147 . . . . 0.0 109.322 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.493 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.2 t30 -105.16 137.45 42.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.434 1.084 . . . . 0.0 109.257 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.493 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -128.02 173.75 9.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.344 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -76.48 122.52 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.62 1.2 . . . . 0.0 109.235 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 80.86 -45.23 3.12 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.45 1.094 . . . . 0.0 111.0 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' A' ' 432' ' ' THR . 5.3 m -133.32 174.03 10.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 0.789 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.519 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 52.5 p90 -100.07 154.14 18.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.549 1.156 . . . . 0.0 110.997 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.508 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 7.6 tt0 -114.88 149.51 37.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.445 1.09 . . . . 0.0 110.357 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.65 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 7.0 t -137.99 134.05 34.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 108.291 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.586 ' HG3' HD11 ' A' ' 430' ' ' ILE . 78.0 mt-30 -79.23 143.2 35.55 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 110.312 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -82.56 138.66 34.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.451 1.095 . . . . 0.0 108.365 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.551 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -107.86 100.64 9.99 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 -179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.422 ' HB3' ' O ' ' A' ' 472' ' ' GLY . 0.0 OUTLIER 69.95 -93.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -131.83 76.29 0.41 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.483 1.114 . . . . 0.0 110.92 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.554 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 0.4 OUTLIER -102.4 161.26 13.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.429 0.723 . . . . 0.0 111.083 179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.016 ' CG2' HG22 ' A' ' 451' ' ' ILE . 5.0 t -104.58 -130.35 0.27 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.819 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.03 159.17 28.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.479 1.112 . . . . 0.0 111.094 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 -28.35 9.12 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 19.7 mmm180 -119.1 7.25 11.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.526 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 82.71 59.86 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.583 1.177 . . . . 0.0 108.296 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 1.01 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -146.31 12.46 1.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.127 . . . . 0.0 110.335 -179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 1.016 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -124.8 136.81 59.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.595 1.184 . . . . 0.0 109.256 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.554 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 7.9 t0 -95.48 128.63 42.49 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.559 HG22 ' N ' ' A' ' 454' ' ' ASN . 2.2 p -96.31 169.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.663 1.227 . . . . 0.0 109.261 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.559 ' N ' HG22 ' A' ' 453' ' ' VAL . 22.6 t-20 -101.57 104.18 15.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.422 1.076 . . . . 0.0 109.227 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.516 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 10.8 pm0 -84.18 -14.34 50.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.251 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.468 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 7.4 t -90.52 6.97 41.33 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.514 1.134 . . . . 0.0 108.349 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.638 HG12 ' N ' ' A' ' 458' ' ' SER . 0.8 OUTLIER -77.36 -59.13 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.271 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.638 ' N ' HG12 ' A' ' 457' ' ' VAL . 13.6 m -96.34 5.29 51.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.602 1.189 . . . . 0.0 109.966 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.681 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -140.5 50.27 2.08 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.153 . . . . 0.0 109.301 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.681 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.92 3.05 5.91 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.468 1.773 . . . . 0.0 111.004 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.581 ' HA ' ' CD2' ' A' ' 486' ' ' HIS . 1.3 m 72.26 21.43 3.85 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.581 1.176 . . . . 0.0 108.373 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.403 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 13.1 mt-30 78.91 -156.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.461 1.1 . . . . 0.0 110.332 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.401 ' ND2' ' H ' ' A' ' 463' ' ' ASN . 3.7 p30 -94.83 -16.3 23.05 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.553 1.158 . . . . 0.0 109.276 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -90.79 45.74 1.28 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.584 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.31 124.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.274 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.425 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -68.41 109.46 3.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.367 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.03 129.76 40.32 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 108.236 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 13.4 mt -143.9 81.4 1.68 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.597 1.186 . . . . 0.0 109.204 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 455' ' ' GLU . 5.2 t70 -67.35 127.08 31.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.26 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.507 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -117.19 -175.18 2.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 110.276 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.562 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -67.42 122.65 18.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.343 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.422 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 40.94 25.63 0.12 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.507 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -166.35 154.72 10.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 0.768 . . . . 0.0 110.254 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.562 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.61 151.86 43.49 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.571 1.17 . . . . 0.0 110.95 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.721 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -136.99 141.42 42.56 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.492 1.12 . . . . 0.0 110.263 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.584 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 4.9 p -126.42 120.0 28.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.416 1.072 . . . . 0.0 108.273 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.721 ' N ' HE22 ' A' ' 475' ' ' GLN . 2.7 mm -68.74 157.18 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.592 1.182 . . . . 0.0 109.266 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 78.5 m -113.27 167.15 10.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 108.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 44.4 mtp -106.25 151.43 40.21 Favored Pre-proline 0 C--N 1.323 -0.551 0 O-C-N 124.537 1.148 . . . . 0.0 111.049 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 60.19 5.39 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.469 1.773 . . . . 0.0 110.957 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.49 -39.81 0.02 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.513 1.133 . . . . 0.0 111.014 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.422 ' CD1' ' N ' ' A' ' 482' ' ' TYR . 7.0 m-85 -125.04 163.04 23.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.419 0.717 . . . . 0.0 110.945 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.863 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -146.01 -178.92 6.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.508 1.13 . . . . 0.0 110.291 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.69 -154.77 17.02 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.45 1.093 . . . . 0.0 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.6 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -78.95 -38.13 20.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.561 0.801 . . . . 0.0 109.356 179.904 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.6 ' CD2' HG13 ' A' ' 485' ' ' VAL . 61.3 m170 -106.28 -0.31 24.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.569 1.168 . . . . 0.0 109.643 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.7 m 52.23 51.85 15.48 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.61 1.194 . . . . 0.0 108.345 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -131.55 4.01 4.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.233 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.863 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.9 OUTLIER -89.89 129.79 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.628 1.205 . . . . 0.0 109.344 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.444 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.4 p30 -67.95 91.6 0.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.583 1.177 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.444 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.4 OUTLIER 52.87 168.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.436 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.423 ' N ' HG23 ' A' ' 491' ' ' THR . 0.8 OUTLIER -82.26 162.95 22.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.287 -179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.45 ' CB ' ' HB2' ' A' ' 512' ' ' PHE . 1.5 mp0 -143.46 28.66 1.46 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 32.5 t -87.84 -11.25 48.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.433 1.083 . . . . 0.0 108.332 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -62.7 -30.95 71.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 497' ' ' SER . 0.6 OUTLIER -86.89 109.43 19.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.133 . . . . 0.0 110.01 179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.414 ' C ' ' O ' ' A' ' 496' ' ' SER . 62.1 p 38.57 88.69 0.09 OUTLIER Pre-proline 0 C--N 1.326 -0.424 0 O-C-N 124.493 1.121 . . . . 0.0 110.029 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.408 ' C ' ' SG ' ' A' ' 499' ' ' CYS . 18.3 Cg_endo -75.01 -25.7 11.59 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.429 1.752 . . . . 0.0 110.967 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.46 ' O ' ' N ' ' A' ' 503' ' ' GLY . 0.5 OUTLIER 43.14 58.58 3.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 108.319 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 502' ' ' ASN . 33.7 mt -63.9 144.77 56.8 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.528 1.142 . . . . 0.0 109.409 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.407 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 1.7 m-70 69.85 -59.34 0.51 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 109.593 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.451 ' HA ' ' CE2' ' A' ' 520' ' ' PHE . 4.6 m120 -71.05 -6.44 39.07 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . -171.73 158.37 29.23 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.471 ' CB ' ' HB2' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -113.99 125.87 54.5 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 0.757 . . . . 0.0 110.308 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 93.1 m -60.53 139.74 57.63 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 108.278 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.452 ' HB3' ' CB ' ' A' ' 513' ' ' GLN . 4.8 tp -125.77 131.44 52.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.536 1.148 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.64 ' CG ' HG21 ' A' ' 489' ' ' VAL . 2.1 t0 -97.81 97.54 9.07 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.528 1.142 . . . . 0.0 109.323 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 1.9 mmmt -107.68 156.34 19.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.437 1.086 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.688 HG22 ' HA ' ' A' ' 489' ' ' VAL . 3.7 pt -88.3 65.33 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.299 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 170.87 -33.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.255 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -171.22 -165.9 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.57 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -115.52 145.14 42.91 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 111.027 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . 0.452 ' CB ' ' HB3' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -116.75 131.18 57.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 110.293 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 44.5 t -95.87 86.65 4.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 108.273 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 504' ' ' ARG . 2.8 mm-40 -48.95 165.18 0.05 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 110.36 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.2 p -111.9 134.22 21.42 Favored Pre-proline 0 C--N 1.323 -0.544 0 O-C-N 124.521 1.138 . . . . 0.0 108.367 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -162.16 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.523 1.802 . . . . 0.0 111.058 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 518' ' ' THR . 9.2 t -157.25 47.42 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 110.326 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -129.68 -42.66 0.22 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.48 1.113 . . . . 0.0 110.95 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.841 ' O ' HG22 ' A' ' 521' ' ' THR . 78.1 m-85 -63.81 -40.66 97.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 111.004 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.841 HG22 ' O ' ' A' ' 520' ' ' PHE . 13.8 t 53.05 167.2 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.51 1.132 . . . . 0.0 110.379 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 109.0 -53.04 0.61 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.589 1.181 . . . . 0.0 111.025 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -81.91 -51.7 7.82 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 0.755 . . . . 0.0 109.573 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER 70.72 130.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 0.0 109.258 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -133.31 -64.41 0.73 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.575 1.172 . . . . 0.0 108.28 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.287 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -127.1 -176.51 3.74 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 124.461 1.101 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -95.23 158.22 3.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.518 ' O ' ' N ' ' A' ' 417' ' ' SER . 45.6 t0 -89.03 79.69 7.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.53 ' HA ' ' HG ' ' A' ' 418' ' ' LEU . 2.2 mp0 -52.77 -17.04 1.15 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 0.0 110.233 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.426 ' SG ' ' OD1' ' A' ' 421' ' ' ASN . 0.1 OUTLIER -85.89 -23.9 26.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.438 1.086 . . . . 0.0 108.311 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.518 ' N ' ' O ' ' A' ' 414' ' ' ASP . 25.5 t -74.06 -28.11 61.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.601 HD23 ' N ' ' A' ' 418' ' ' LEU . 0.9 OUTLIER -53.52 -77.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -172.2 26.83 0.09 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.47 89.66 3.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.386 0.698 . . . . 0.0 109.282 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.426 ' OD1' ' SG ' ' A' ' 416' ' ' CYS . 1.6 t30 -114.92 105.09 53.6 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.489 ' HB2' ' HB2' ' A' ' 450' ' ' GLU . 17.9 Cg_endo -75.1 -38.96 1.32 Allowed 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.561 1.821 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.45 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 30.1 m -49.51 -19.98 0.66 Allowed 'General case' 0 C--N 1.323 -0.561 0 O-C-N 124.564 1.165 . . . . 0.0 108.358 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.527 ' HB3' ' CD2' ' A' ' 425' ' ' HIS . 5.8 mm-40 68.38 -108.73 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.527 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 0.7 OUTLIER -124.29 11.69 8.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 109.637 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 1.041 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -149.9 91.92 1.84 Allowed 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.597 1.186 . . . . 0.0 109.329 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.72 177.59 38.07 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.486 1.117 . . . . 0.0 111.066 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.567 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.2 OUTLIER -117.73 111.43 19.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 0.779 . . . . 0.0 109.384 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.7 115.34 27.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.403 1.065 . . . . 0.0 108.317 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.517 ' N ' ' O ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -117.2 169.08 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 109.244 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.471 ' OD1' ' N ' ' A' ' 432' ' ' THR . 7.1 t30 -105.03 134.29 48.37 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.41 1.069 . . . . 0.0 109.251 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.49 ' OG1' ' N ' ' A' ' 437' ' ' GLU . 0.0 OUTLIER -123.82 171.9 9.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.565 1.166 . . . . 0.0 110.385 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.8 mt -77.31 122.35 24.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.61 -45.3 3.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.498 1.124 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.6 m -130.58 172.85 11.47 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.563 0.802 . . . . 0.0 109.989 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 39.5 p90 -105.65 138.31 42.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.948 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.517 ' O ' ' N ' ' A' ' 430' ' ' ILE . 7.8 tt0 -102.28 145.07 29.99 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.461 1.1 . . . . 0.0 110.366 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.7 t -143.19 123.96 14.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.44 1.088 . . . . 0.0 108.287 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.567 ' N ' ' O ' ' A' ' 428' ' ' LYS . 26.9 mt-30 -78.28 159.21 28.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.298 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -93.98 158.36 15.67 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.495 1.122 . . . . 0.0 108.293 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.419 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER -108.37 111.45 23.37 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 0.0 109.309 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 9.2 mm-40 54.83 -103.21 0.17 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 110.321 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -109.43 69.78 0.21 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.521 1.138 . . . . 0.0 111.062 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 1.041 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -100.54 158.36 15.98 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.353 0.678 . . . . 0.0 110.988 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.796 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -103.06 -124.18 0.2 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.535 1.147 . . . . 0.0 110.452 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.801 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.92 157.69 14.38 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.573 1.171 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.82 9.74 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.557 1.819 . . . . 0.0 111.029 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.568 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 10.1 mmt180 -107.43 -9.93 15.86 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.568 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 1.6 t 93.33 57.4 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 108.334 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.57 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -148.86 12.1 0.86 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.946 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.801 ' HB ' ' N ' ' A' ' 446' ' ' GLY . 5.9 mm -110.57 148.62 13.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.58 ' HB2' ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -101.55 120.18 39.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.51 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.3 p -99.28 164.29 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.392 1.058 . . . . 0.0 109.281 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.883 ' O ' HG22 ' A' ' 457' ' ' VAL . 62.2 t-20 -101.47 90.95 4.25 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 109.287 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.511 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 5.7 pm0 -61.48 -13.21 19.0 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.381 1.051 . . . . 0.0 110.284 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.08 -2.13 29.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.148 . . . . 0.0 108.304 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.883 HG22 ' O ' ' A' ' 454' ' ' ASN . 19.4 m -83.38 -26.1 7.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 0.0 109.252 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.78 -4.74 12.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.998 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.529 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -149.26 58.76 3.59 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.503 1.127 . . . . 0.0 109.31 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.529 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.6 Cg_endo -74.91 -4.35 15.28 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.593 1.838 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.48 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.5 OUTLIER 73.38 18.29 3.7 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.588 1.18 . . . . 0.0 108.355 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.466 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER 83.21 -171.3 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.9 p30 -77.61 -38.15 48.75 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.408 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.5 OUTLIER -76.58 57.61 1.26 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.127 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.538 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -179.79 128.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.102 . . . . 0.0 109.311 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 48.1 m -80.01 110.59 15.54 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.529 1.143 . . . . 0.0 110.4 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -70.88 131.26 43.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 108.363 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.512 HD23 ' HA ' ' A' ' 468' ' ' LEU . 6.2 mt -134.56 77.3 1.69 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . 0.402 ' HB2' ' OD1' ' A' ' 454' ' ' ASN . 8.7 t0 -65.14 133.45 51.6 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.464 ' HG2' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -137.87 -171.61 3.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.334 179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.575 HG22 ' CB ' ' A' ' 426' ' ' ALA . 0.6 OUTLIER -52.73 116.44 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.491 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 29.81 39.46 0.03 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.519 1.137 . . . . 0.0 111.031 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 471' ' ' ILE . 22.1 tt0 -162.67 154.83 18.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 0.762 . . . . 0.0 110.255 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.631 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -142.75 143.82 32.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.112 . . . . 0.0 110.996 -179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.417 ' HG2' ' CB ' ' A' ' 468' ' ' LEU . 10.6 pt20 -131.09 134.79 46.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.42 1.075 . . . . 0.0 110.287 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.538 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 23.0 p -117.41 117.86 30.64 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 108.246 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.421 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 26.3 mm -81.58 141.05 15.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.332 179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 47.4 m -101.25 151.08 22.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 108.374 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.6 mtt -85.8 151.7 55.59 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 111.069 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 75.13 3.77 Favored 'Trans proline' 0 C--N 1.358 1.077 0 O-C-N 124.505 1.792 . . . . 0.0 110.945 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 174.48 -33.48 0.1 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 43.5 m-85 -110.88 169.93 8.44 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.45 0.735 . . . . 0.0 110.979 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.516 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -156.93 179.49 9.24 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.471 1.107 . . . . 0.0 110.345 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.8 -168.56 12.59 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.529 1.143 . . . . 0.0 110.968 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.42 45.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.488 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -106.22 11.31 31.34 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.542 1.151 . . . . 0.0 109.626 179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.1 m 42.38 50.75 4.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 108.311 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -128.26 2.22 5.75 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.392 1.058 . . . . 0.0 110.339 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.86 129.18 48.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.421 ' HB2' HG23 ' A' ' 509' ' ' ILE . 13.5 t30 -73.19 129.61 38.43 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 109.242 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.619 HG23 ' OE1' ' A' ' 493' ' ' GLU . 7.9 t -83.11 144.39 29.9 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.453 1.096 . . . . 0.0 110.348 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.88 147.36 28.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.619 ' OE1' HG23 ' A' ' 491' ' ' THR . 1.0 OUTLIER -125.24 2.64 7.84 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.368 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 25.0 m -102.73 54.31 0.78 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 108.268 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -61.34 -35.4 77.3 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.412 1.07 . . . . 0.0 109.305 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . 0.456 ' O ' ' C ' ' A' ' 497' ' ' SER . 3.9 t -156.72 -138.11 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.456 ' C ' ' O ' ' A' ' 496' ' ' SER . 0.4 OUTLIER 35.31 74.76 0.53 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.536 1.147 . . . . 0.0 110.01 179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 1.89 7.2 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.51 1.795 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 503' ' ' GLY . 2.7 m 56.46 40.2 29.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.1 . . . . 0.0 108.286 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.485 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -49.58 114.48 1.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.566 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 82.6 -42.58 0.12 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.567 1.167 . . . . 0.0 109.579 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.566 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 0.8 OUTLIER -67.92 -20.3 65.07 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.393 1.058 . . . . 0.0 109.289 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 499' ' ' CYS . . . 144.61 -150.55 22.68 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.462 1.101 . . . . 0.0 110.993 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.425 ' O ' ' HA ' ' A' ' 514' ' ' CYS . 0.0 OUTLIER -129.65 146.26 51.45 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.533 0.784 . . . . 0.0 110.257 -179.933 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 42.7 t -91.77 133.3 35.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.42 1.075 . . . . 0.0 108.327 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 14.2 mt -120.58 135.25 55.15 Favored 'General case' 0 C--N 1.323 -0.566 0 O-C-N 124.522 1.139 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 12.2 t0 -99.4 96.19 7.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.41 1.069 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 510' ' ' ASN . 31.3 mtpt -99.25 138.74 35.91 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.597 ' H ' HD12 ' A' ' 509' ' ' ILE . 2.4 mp -63.43 79.83 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.115 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.489 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.0 m-20 157.29 -39.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.302 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -171.06 170.83 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.283 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 493' ' ' GLU . 37.1 p90 -106.2 126.16 51.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 111.115 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -116.59 116.47 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 110.25 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . 0.425 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 1.8 t -81.95 90.04 6.43 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.419 1.074 . . . . 0.0 108.323 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 167.9 0.06 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.579 1.174 . . . . 0.0 110.316 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.8 t -97.99 138.73 20.98 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.455 1.097 . . . . 0.0 108.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.466 ' CG ' ' HA2' ' A' ' 503' ' ' GLY . 18.5 Cg_endo -74.86 -163.89 0.2 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.421 1.748 . . . . 0.0 111.019 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 518' ' ' THR . 10.1 t -175.58 53.34 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.499 1.125 . . . . 0.0 110.469 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -155.91 -50.43 0.01 OUTLIER Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.551 ' CE2' ' HA ' ' A' ' 501' ' ' HIS . 27.9 m-85 -57.21 100.74 0.05 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.566 0.804 . . . . 0.0 111.116 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 70.7 p -58.06 164.3 2.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.411 1.07 . . . . 0.0 110.36 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 70.12 60.31 4.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 178.44 171.13 0.77 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.532 0.784 . . . . 0.0 109.552 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.5 mt -150.72 133.0 15.45 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 1.2 m -46.15 -60.78 2.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 108.248 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 180.0 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.455 -0.216 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -129.9 179.3 5.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.245 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.664 HG22 HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -84.61 146.22 7.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 417' ' ' SER . 52.8 t0 -92.0 78.35 5.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.519 1.137 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.786 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -53.35 -19.41 3.34 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.452 1.095 . . . . 0.0 110.374 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.445 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.4 OUTLIER -78.73 -23.43 45.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 108.337 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.5 t -98.52 -17.87 18.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.541 1.151 . . . . 0.0 109.994 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.786 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.9 mt -76.11 -84.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -159.82 24.58 0.3 Allowed Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.523 1.139 . . . . 0.0 110.959 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.23 77.58 1.64 Allowed 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.54 0.788 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -121.59 107.29 36.55 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.307 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.517 ' O ' ' CG ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.95 -32.7 5.23 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.548 1.815 . . . . 0.0 111.084 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.477 ' O ' ' CB ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -41.91 -27.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 108.304 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.517 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 24.5 mt-10 85.34 -63.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.555 ' NE2' ' CG2' ' A' ' 471' ' ' ILE . 0.3 OUTLIER -161.13 -41.64 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 0.0 109.613 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.465 ' H ' ' CD2' ' A' ' 425' ' ' HIS . . . -106.32 105.4 15.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.414 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 160.78 164.13 15.15 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.623 1.202 . . . . 0.0 110.972 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.53 ' HD3' HD12 ' A' ' 430' ' ' ILE . 3.0 ttmt -92.78 129.3 38.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.382 0.695 . . . . 0.0 109.341 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.789 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -118.64 121.75 40.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.575 1.172 . . . . 0.0 108.343 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.789 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -120.26 169.69 11.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.479 1.112 . . . . 0.0 109.274 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 19.9 t30 -109.3 136.39 48.82 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.578 1.174 . . . . 0.0 109.229 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.46 170.42 12.0 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.147 . . . . 0.0 110.348 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 3.8 mt -76.25 123.1 25.36 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.561 1.163 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.38 -44.72 3.24 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.47 1.106 . . . . 0.0 111.033 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 15.8 t -133.17 173.76 11.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 0.791 . . . . 0.0 109.942 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.415 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 24.6 p90 -106.82 161.27 14.84 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 0.0 111.078 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -125.66 143.92 50.82 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.334 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.464 ' SG ' ' HB3' ' A' ' 450' ' ' GLU . 46.1 t -142.25 125.06 16.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 12.7 mt-30 -86.46 148.8 25.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.15 . . . . 0.0 110.278 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 1.8 p -86.87 171.24 10.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.587 1.179 . . . . 0.0 108.296 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.655 HD11 ' CE1' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -144.79 149.46 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.891 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.609 ' NE2' HD23 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 53.85 -100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 110.311 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -140.01 75.1 0.36 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.491 1.119 . . . . 0.0 110.962 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.655 ' CE1' HD11 ' A' ' 441' ' ' LEU . 1.9 m-85 -103.16 161.67 13.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.932 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.45 -122.34 0.18 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 110.46 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.799 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 77.97 155.05 7.42 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.447 1.092 . . . . 0.0 110.987 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . 0.424 ' HD2' HD13 ' A' ' 451' ' ' ILE . 18.2 Cg_endo -75.15 -21.51 15.52 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.487 1.783 . . . . 0.0 110.994 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.536 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 16.2 mmt-85 -112.94 -8.55 13.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.34 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.536 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 90.73 56.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 108.315 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.513 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -149.46 16.78 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 110.391 179.946 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.932 HG22 ' CG2' ' A' ' 445' ' ' THR . 3.2 mp -120.34 146.07 25.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.219 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.53 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 14.5 t70 -98.97 124.6 44.06 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 109.258 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -98.5 165.66 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 0.0 109.235 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.505 ' N ' ' CG2' ' A' ' 453' ' ' VAL . 1.6 t-20 -98.11 134.81 40.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 109.338 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.487 ' OE2' ' N ' ' A' ' 455' ' ' GLU . 2.4 pm0 -120.15 -8.51 9.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.57 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.8 p -105.75 3.91 29.38 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.49 1.119 . . . . 0.0 108.191 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 458' ' ' SER . 0.5 OUTLIER -78.94 -52.17 15.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.266 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.534 ' N ' ' CG1' ' A' ' 457' ' ' VAL . 0.5 OUTLIER -98.93 -0.86 41.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.025 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.605 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -139.07 54.76 6.6 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 0.0 109.286 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.605 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.0 Cg_endo -75.07 -1.78 11.68 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.592 1.838 . . . . 0.0 110.961 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.58 ' O ' ' O ' ' A' ' 462' ' ' GLN . 9.6 m 80.36 1.62 1.93 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 108.346 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.58 ' O ' ' O ' ' A' ' 461' ' ' CYS . 1.6 pp0? 34.29 -162.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.56 ' O ' ' CB ' ' A' ' 464' ' ' ASP . 0.0 OUTLIER 79.56 -40.17 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.254 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.56 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.5 OUTLIER 150.75 -19.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.58 1.175 . . . . 0.0 109.234 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.502 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -40.49 136.75 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.117 . . . . 0.0 109.351 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.429 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.2 m -82.8 109.2 16.73 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 110.419 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.478 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.0 OUTLIER -69.14 121.75 17.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.549 1.156 . . . . 0.0 108.306 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.478 HD23 ' O ' ' A' ' 467' ' ' CYS . 14.1 mt -125.45 84.96 2.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -64.62 121.44 14.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.45 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -115.03 -179.05 3.52 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.487 1.117 . . . . 0.0 110.305 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -69.91 117.58 12.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 109.342 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.14 1.66 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.535 1.147 . . . . 0.0 111.046 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 470' ' ' GLN . 17.7 pt-20 -164.81 154.2 13.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.57 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -142.84 155.06 44.73 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.528 1.142 . . . . 0.0 111.006 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.531 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.6 OUTLIER -144.6 138.35 27.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.344 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.483 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 25.8 p -117.82 122.52 43.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 108.254 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.531 ' N ' HE22 ' A' ' 475' ' ' GLN . 1.1 mm -85.5 110.66 19.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 10.5 t -109.07 169.25 8.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.123 . . . . 0.0 108.379 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 28.1 mmt -83.1 151.35 63.18 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 111.072 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 56.06 4.11 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.545 1.813 . . . . 0.0 110.956 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -148.28 -43.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.576 1.172 . . . . 0.0 111.013 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 4.4 m-30 -99.31 166.98 10.94 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.524 0.779 . . . . 0.0 111.029 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.468 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.3 OUTLIER -158.02 178.32 10.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.567 1.167 . . . . 0.0 110.281 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 110.61 -174.45 17.23 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.591 1.182 . . . . 0.0 110.985 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.673 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -69.84 -37.69 73.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.5 0.764 . . . . 0.0 109.25 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.673 ' CD2' HG13 ' A' ' 485' ' ' VAL . 64.8 m170 -108.04 15.03 24.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.144 . . . . 0.0 109.606 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.431 ' HB3' ' ND2' ' A' ' 463' ' ' ASN . 1.8 t 42.14 43.23 2.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 108.383 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 5.1 tt0 -115.52 0.02 13.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.244 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.468 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.7 OUTLIER -97.89 127.69 50.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.303 -179.929 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.41 ' CG ' ' OD1' ' A' ' 507' ' ' ASP . 36.0 t-20 -73.61 124.28 25.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 109.27 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 23.5 m -58.07 129.19 40.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -100.59 137.29 39.19 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.53 1.144 . . . . 0.0 109.254 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.422 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.0 OUTLIER -126.3 8.37 7.18 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.388 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 13.1 p -132.89 39.23 3.33 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.499 1.124 . . . . 0.0 108.208 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -66.54 -23.23 66.19 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.553 1.158 . . . . 0.0 109.18 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 1.1 t -134.5 53.56 1.99 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 109.983 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.3 m -167.24 70.21 0.97 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 110.046 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 1.02 8.15 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.6 OUTLIER 67.65 -77.92 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.113 . . . . 0.0 108.256 -179.945 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 502' ' ' ASN . 13.6 mt 61.58 141.28 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.52 1.138 . . . . 0.0 109.323 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.412 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.6 m-70 69.36 -58.78 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 109.588 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.441 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.4 OUTLIER -75.71 -20.48 58.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.502 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 148.94 -156.97 27.08 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.1 . . . . 0.0 111.02 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 515' ' ' GLU . 1.0 OUTLIER -129.44 144.52 51.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 0.734 . . . . 0.0 110.234 -179.869 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -82.72 129.68 35.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 1.0 OUTLIER -114.98 133.95 55.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 -179.949 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.41 ' OD1' ' CG ' ' A' ' 490' ' ' ASN . 33.6 t70 -89.01 102.01 14.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.278 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -95.43 164.53 12.78 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 109.229 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.44 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 3.8 mt -83.55 66.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 109.393 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.44 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 6.5 t30 160.9 -39.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 1.133 . . . . 0.0 109.375 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -161.87 -170.12 2.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.334 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.429 ' CG ' ' O ' ' A' ' 512' ' ' PHE . 12.4 p90 -122.27 129.71 52.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 110.985 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -115.72 114.54 24.96 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . 0.418 ' HA ' ' O ' ' A' ' 504' ' ' ARG . 0.5 OUTLIER -70.9 88.78 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.454 1.096 . . . . 0.0 108.304 -180.0 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 504' ' ' ARG . 0.7 OUTLIER -51.43 176.28 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 110.328 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . 0.406 ' O ' ' CD ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -96.41 139.48 21.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 108.382 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.502 ' CD ' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo -74.99 162.2 37.54 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.43 1.753 . . . . 0.0 110.978 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 15.3 t -165.91 -40.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.442 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -95.81 17.04 60.04 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.491 1.12 . . . . 0.0 110.927 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 62.0 m-85 -114.86 -58.21 2.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 0.743 . . . . 0.0 110.993 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.451 HG23 ' N ' ' A' ' 522' ' ' GLY . 7.4 t -103.95 -50.91 3.27 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.588 1.18 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.451 ' N ' HG23 ' A' ' 521' ' ' THR . . . 108.69 -178.79 21.13 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.525 1.141 . . . . 0.0 111.069 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 10.7 m170 55.27 168.61 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.406 0.709 . . . . 0.0 109.629 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.53 ' H ' HD23 ' A' ' 524' ' ' LEU . 0.9 OUTLIER -55.41 125.33 20.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.0 p -64.4 116.79 6.44 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.498 1.124 . . . . 0.0 108.277 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.499 1.124 . . . . 0.0 110.321 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.3 -0.259 . . . . 0.0 110.3 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -129.17 -178.23 4.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.087 . . . . 0.0 109.338 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -90.64 156.61 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.483 ' O ' ' N ' ' A' ' 417' ' ' SER . 12.6 t0 -90.07 78.74 6.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.723 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -54.27 -16.56 2.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.552 1.157 . . . . 0.0 110.301 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.464 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.5 t -85.51 -23.61 27.66 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.538 1.149 . . . . 0.0 108.35 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.483 ' N ' ' O ' ' A' ' 414' ' ' ASP . 17.2 t -76.84 -32.52 57.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.372 1.045 . . . . 0.0 110.038 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.723 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -64.23 -69.15 0.3 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.919 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -177.78 38.88 0.09 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.486 1.116 . . . . 0.0 111.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.644 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.99 76.45 1.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -110.9 105.23 57.05 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.455 ' HB2' ' CG ' ' A' ' 450' ' ' GLU . 18.3 Cg_endo -75.0 -37.21 2.13 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.416 1.745 . . . . 0.0 111.036 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.412 ' CB ' ' HA3' ' A' ' 427' ' ' GLY . 0.0 OUTLIER -69.93 -3.34 15.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.498 1.123 . . . . 0.0 108.226 -179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 65.42 -100.31 0.07 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 110.32 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -118.5 -32.92 4.46 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.154 . . . . 0.0 109.562 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.487 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -103.18 108.05 19.11 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.576 1.172 . . . . 0.0 109.28 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.412 ' HA3' ' CB ' ' A' ' 423' ' ' CYS . . . 148.17 165.95 12.41 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.422 1.076 . . . . 0.0 111.095 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.801 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -96.65 137.99 34.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.296 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.767 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -129.43 120.44 25.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 108.284 179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.801 HD12 ' HE3' ' A' ' 428' ' ' LYS . 0.0 OUTLIER -121.93 169.29 13.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.461 1.1 . . . . 0.0 109.323 -179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.447 ' OD1' ' N ' ' A' ' 432' ' ' THR . 5.3 t30 -101.43 130.18 47.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.264 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.447 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -118.63 172.22 7.65 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 110.414 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.4 mt -77.75 121.81 24.54 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 109.308 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.5 -44.75 3.26 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.365 1.041 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 14.4 m -132.16 174.88 9.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.479 0.752 . . . . 0.0 110.046 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.426 ' CD1' ' HB2' ' A' ' 415' ' ' GLU . 12.7 p90 -102.71 153.82 19.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 111.012 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.7 tt0 -115.62 147.23 41.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.496 1.122 . . . . 0.0 110.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.474 ' N ' ' HG3' ' A' ' 437' ' ' GLU . 8.4 t -142.11 129.67 21.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 0.0 108.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.695 ' HG3' HD11 ' A' ' 430' ' ' ILE . 24.2 mt-30 -88.28 154.19 20.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 110.248 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.423 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.4 m -84.17 164.58 19.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.161 . . . . 0.0 108.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 1.092 ' O ' HD13 ' A' ' 441' ' ' LEU . 0.0 OUTLIER -150.3 138.84 20.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.321 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.512 ' HG2' ' CD2' ' A' ' 441' ' ' LEU . 2.6 mm-40 60.51 -96.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 110.25 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -144.36 71.51 0.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.844 ' CE1' HD11 ' A' ' 441' ' ' LEU . 2.5 m-85 -103.37 158.46 16.32 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.449 0.735 . . . . 0.0 111.045 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.947 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -105.88 -117.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.438 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.884 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 86.0 157.55 29.47 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.408 1.068 . . . . 0.0 110.998 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 -25.1 12.37 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.533 1.807 . . . . 0.0 111.078 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.6 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 30.1 mmm180 -118.05 -6.52 10.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.6 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 3.2 t 96.57 68.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.474 1.108 . . . . 0.0 108.291 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.925 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.1 pm0 -166.19 27.43 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.557 1.16 . . . . 0.0 110.179 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.947 HG22 HG23 ' A' ' 445' ' ' THR . 1.8 mp -131.21 147.02 32.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.536 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.68 128.75 43.92 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 109.307 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.554 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.77 163.3 2.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.246 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.871 ' ND2' HG23 ' A' ' 457' ' ' VAL . 44.3 t-20 -82.69 105.28 13.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 109.348 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.561 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 0.5 OUTLIER -79.47 -18.16 52.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.432 1.083 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.448 ' N ' ' OD1' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -97.38 19.06 13.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.559 1.162 . . . . 0.0 108.278 179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.871 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.6 OUTLIER -90.29 -57.98 3.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 109.306 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.625 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.4 OUTLIER -93.51 2.83 56.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 110.027 179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.639 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.91 52.59 3.14 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.487 1.117 . . . . 0.0 109.256 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.639 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.15 13.49 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.471 1.774 . . . . 0.0 110.957 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.464 ' HB3' ' CB ' ' A' ' 465' ' ' ALA . 0.9 OUTLIER 72.04 21.26 4.09 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.52 1.138 . . . . 0.0 108.331 179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.447 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.7 OUTLIER 81.95 -167.15 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.442 1.089 . . . . 0.0 110.327 -179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 7.3 p30 -80.71 -34.36 34.61 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.448 1.092 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.547 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 1.6 t70 -80.78 59.01 3.52 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.547 ' HB2' ' O ' ' A' ' 464' ' ' ASP . . . 173.07 130.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.463 1.102 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.401 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 2.8 m -83.41 111.16 18.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.381 1.051 . . . . 0.0 110.356 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.493 ' HB2' ' HA ' ' A' ' 460' ' ' PRO . 0.2 OUTLIER -76.19 141.45 41.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 108.275 179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.403 HD23 ' O ' ' A' ' 467' ' ' CYS . 12.6 mt -140.81 96.42 3.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.127 . . . . 0.0 109.295 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -63.76 120.81 12.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.417 1.073 . . . . 0.0 109.251 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.502 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.4 OUTLIER -111.04 -173.07 2.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.567 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.7 OUTLIER -75.79 112.01 12.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.909 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 53.61 18.33 7.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.502 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 7.1 pt-20 -165.05 159.84 18.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 0.757 . . . . 0.0 110.278 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 459' ' ' ASN . 8.8 p90 -133.08 160.77 36.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 111.037 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.425 ' CD ' ' C ' ' A' ' 475' ' ' GLN . 0.0 OUTLIER -144.02 134.66 24.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.304 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 466' ' ' THR . 1.6 p -117.43 143.73 45.72 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.48 1.112 . . . . 0.0 108.267 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.508 HD13 ' HA ' ' A' ' 477' ' ' ILE . 3.0 mm -96.85 141.08 16.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.587 1.179 . . . . 0.0 109.378 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 80.5 m -101.49 147.42 26.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.42 1.075 . . . . 0.0 108.264 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -92.02 152.51 42.89 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.546 1.154 . . . . 0.0 111.026 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 83.23 1.85 Allowed 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . 172.86 -31.62 0.11 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.45 1.093 . . . . 0.0 111.057 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.555 ' CE2' ' HB3' ' A' ' 490' ' ' ASN . 21.5 m-85 -121.57 171.13 9.04 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.594 0.82 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.472 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -144.91 -177.51 5.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.118 . . . . 0.0 110.309 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.484 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 106.01 -177.56 22.54 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.494 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.62 -19.95 12.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 0.759 . . . . 0.0 109.266 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.494 ' CD2' HG12 ' A' ' 485' ' ' VAL . 18.3 m170 -107.55 9.34 29.49 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.465 1.103 . . . . 0.0 109.654 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 3.3 m 43.37 28.17 0.17 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.457 1.098 . . . . 0.0 108.327 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.49 ' O ' HG21 ' A' ' 509' ' ' ILE . 0.4 OUTLIER -117.49 5.62 12.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.435 1.084 . . . . 0.0 110.284 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.659 HG11 ' CG ' ' A' ' 507' ' ' ASP . 2.9 t -89.15 102.45 13.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.555 ' HB3' ' CE2' ' A' ' 482' ' ' TYR . 1.5 p30 -64.44 90.69 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.543 1.152 . . . . 0.0 109.385 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.475 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 52.63 165.75 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 110.372 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.4 ' OD2' ' SG ' ' A' ' 494' ' ' CYS . 24.2 t70 -84.35 143.83 29.23 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.458 1.099 . . . . 0.0 109.357 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -106.52 -5.52 18.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.558 1.161 . . . . 0.0 110.215 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.4 ' SG ' ' OD2' ' A' ' 492' ' ' ASP . 1.5 p -118.44 38.32 3.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.589 1.18 . . . . 0.0 108.293 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.6 -25.9 59.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.76 -75.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.021 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -128.92 104.54 18.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.445 1.09 . . . . 0.0 109.971 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.428 ' HA ' ' HB3' ' A' ' 505' ' ' CYS . 18.3 Cg_endo -75.03 -6.19 17.72 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.555 1.818 . . . . 0.0 111.025 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.425 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER 39.97 57.48 2.32 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.511 1.132 . . . . 0.0 108.39 -179.927 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.43 ' O ' ' N ' ' A' ' 502' ' ' ASN . 1.3 pt? -75.58 161.1 29.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.337 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.416 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.4 m-70 69.39 -59.37 0.49 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.098 . . . . 0.0 109.666 -179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.9 t30 -81.31 -7.49 59.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -174.89 175.04 47.0 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -129.26 112.97 14.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 0.734 . . . . 0.0 110.329 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 498' ' ' PRO . 0.5 OUTLIER -76.02 121.37 22.66 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 108.3 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.451 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.2 mp -98.01 131.26 44.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.356 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.659 ' CG ' HG11 ' A' ' 489' ' ' VAL . 6.4 t0 -86.89 95.95 10.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.402 1.064 . . . . 0.0 109.324 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 15.9 mmtt -103.06 148.3 25.89 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.492 1.12 . . . . 0.0 109.311 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.49 HG21 ' O ' ' A' ' 488' ' ' GLU . 1.6 pt -82.02 63.56 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.547 1.155 . . . . 0.0 109.255 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 171.01 -35.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -163.64 -161.94 0.69 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.524 1.14 . . . . 0.0 110.243 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.501 ' CD1' ' N ' ' A' ' 512' ' ' PHE . 2.3 p90 -130.37 145.02 51.74 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.421 1.075 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.1 OUTLIER -123.23 114.32 20.1 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.414 1.071 . . . . 0.0 110.335 179.929 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 49.7 t -93.12 69.42 4.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 108.229 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -54.12 -171.44 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.457 1.098 . . . . 0.0 110.176 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -98.56 148.63 34.81 Favored Pre-proline 0 C--N 1.326 -0.426 0 O-C-N 124.418 1.074 . . . . 0.0 108.259 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.405 ' HG3' ' C ' ' A' ' 502' ' ' ASN . 18.5 Cg_endo -75.02 -163.59 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.536 1.808 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.719 HG22 ' O ' ' A' ' 518' ' ' THR . 1.4 m -167.4 63.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.42 1.075 . . . . 0.0 110.466 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -145.3 -44.98 0.04 OUTLIER Glycine 0 CA--C 1.531 1.087 0 O-C-N 124.532 1.145 . . . . 0.0 111.033 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 51.3 m-85 -41.39 137.11 1.55 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 0.768 . . . . 0.0 111.009 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER 38.41 81.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.407 1.067 . . . . 0.0 110.378 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 86.95 -115.86 4.35 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.134 . . . . 0.0 111.093 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -167.18 83.13 0.23 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.478 0.752 . . . . 0.0 109.636 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -171.25 141.96 1.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.352 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 41.6 t -83.95 69.15 10.25 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.51 1.131 . . . . 0.0 108.294 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.9 tp60 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.583 1.177 . . . . 0.0 110.289 -179.967 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.248 -0.278 . . . . 0.0 110.248 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -144.43 177.43 8.65 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.272 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.499 ' CG2' HD11 ' A' ' 418' ' ' LEU . 0.3 OUTLIER -82.98 147.77 5.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.271 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.45 ' OD2' ' SG ' ' A' ' 416' ' ' CYS . 21.9 t0 -91.79 78.44 5.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.326 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.748 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.84 -18.81 9.56 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 110.246 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.45 ' SG ' ' OD2' ' A' ' 414' ' ' ASP . 0.5 OUTLIER -82.76 -15.75 50.58 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.434 1.084 . . . . 0.0 108.279 -179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 1.6 t -109.79 -10.69 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.453 1.096 . . . . 0.0 109.939 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.748 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.7 mt -73.86 -90.6 0.02 OUTLIER 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.458 1.099 . . . . 0.0 109.232 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -150.15 17.76 1.05 Allowed Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.486 1.116 . . . . 0.0 110.985 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -125.78 89.54 3.05 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.596 0.821 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 3.6 t30 -111.74 104.5 56.13 Favored Pre-proline 0 C--N 1.324 -0.536 0 O-C-N 124.523 1.14 . . . . 0.0 109.231 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.614 ' HG3' ' CE1' ' A' ' 436' ' ' PHE . 18.6 Cg_endo -74.96 -37.79 1.9 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.42 1.747 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.463 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 9.0 m -44.45 -24.59 0.19 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.571 1.169 . . . . 0.0 108.302 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.491 ' CG ' ' O ' ' A' ' 422' ' ' PRO . 6.7 mt-10 76.01 -70.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 110.348 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 64.3 m-70 -151.95 -44.36 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 109.56 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.44 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -105.48 100.19 9.78 Favored 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.494 1.121 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.699 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 163.88 169.29 27.18 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.462 1.101 . . . . 0.0 111.035 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.682 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.5 OUTLIER -102.31 137.79 40.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.418 0.717 . . . . 0.0 109.351 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.879 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -121.66 119.11 30.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.879 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -122.85 169.11 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.496 1.123 . . . . 0.0 109.306 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.463 ' OD1' ' N ' ' A' ' 432' ' ' THR . 20.5 t30 -108.94 134.87 51.03 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.463 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -125.99 163.86 22.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.381 1.05 . . . . 0.0 110.348 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.5 mt -72.14 123.58 23.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.253 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.64 -45.09 3.33 Favored Glycine 0 CA--C 1.531 1.066 0 O-C-N 124.541 1.15 . . . . 0.0 110.961 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.434 ' O ' ' CB ' ' A' ' 432' ' ' THR . 13.4 t -133.22 170.97 14.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.562 0.801 . . . . 0.0 109.98 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.614 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -104.6 155.02 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 110.916 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.525 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -120.31 143.23 48.47 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.511 1.132 . . . . 0.0 110.35 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.487 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 1.9 t -143.44 126.37 16.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 108.231 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.478 ' HG3' HD11 ' A' ' 430' ' ' ILE . 38.2 mt-30 -79.56 160.31 26.51 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.3 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -95.34 146.0 24.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.41 1.069 . . . . 0.0 108.339 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.699 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.1 OUTLIER -105.65 114.6 28.86 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.681 ' NE2' HD12 ' A' ' 441' ' ' LEU . 0.0 OUTLIER 68.48 -93.64 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.462 1.101 . . . . 0.0 110.241 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -135.56 77.27 0.37 Allowed Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.594 1.184 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.8 m-85 -102.85 162.64 12.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 0.796 . . . . 0.0 111.064 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.055 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.7 t -101.17 -123.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.832 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.46 165.65 39.81 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.055 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -36.37 2.56 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.499 1.789 . . . . 0.0 110.946 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.549 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 5.2 mmt180 -113.33 0.63 14.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.44 1.088 . . . . 0.0 110.282 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.626 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.7 OUTLIER 92.82 68.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.559 1.162 . . . . 0.0 108.369 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.748 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.3 OUTLIER -157.23 17.73 0.28 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.458 1.099 . . . . 0.0 110.284 -179.923 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 1.055 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.9 mp -127.27 144.12 38.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.57 1.169 . . . . 0.0 109.305 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 4.4 t0 -93.09 131.8 37.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.516 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.23 157.29 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 0.0 109.271 -179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.963 ' O ' HG22 ' A' ' 457' ' ' VAL . 51.1 t30 -102.41 88.57 3.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.589 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 10.4 mp0 -55.58 -17.48 5.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 110.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.419 ' HB3' ' OD1' ' A' ' 454' ' ' ASN . 51.2 t -70.35 -6.38 34.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.439 1.087 . . . . 0.0 108.368 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.963 HG22 ' O ' ' A' ' 454' ' ' ASN . 12.6 m -89.17 -23.73 6.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.406 1.066 . . . . 0.0 109.347 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.432 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 28.2 m -118.71 -2.82 10.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.972 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.567 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -154.99 60.77 2.78 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.494 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.02 -7.08 18.83 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.454 1.765 . . . . 0.0 111.02 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.933 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.53 22.86 2.56 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.502 1.126 . . . . 0.0 108.345 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.496 ' HG3' ' N ' ' A' ' 463' ' ' ASN . 2.0 pt20 47.9 -147.79 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.534 1.146 . . . . 0.0 110.362 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.496 ' N ' ' HG3' ' A' ' 462' ' ' GLN . 1.6 m-80 -102.34 42.55 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.477 1.111 . . . . 0.0 109.257 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.596 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 19.8 m-20 -145.45 42.22 1.26 Allowed 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.933 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 168.18 129.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.075 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.498 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.5 m -69.51 108.59 3.86 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.509 1.131 . . . . 0.0 110.328 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -60.42 146.31 44.96 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 1.14 . . . . 0.0 108.264 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.2 mt -159.6 87.16 0.81 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.517 1.136 . . . . 0.0 109.25 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -64.69 145.14 56.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.426 1.079 . . . . 0.0 109.316 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.501 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -135.02 -172.68 3.11 Favored 'General case' 0 C--N 1.323 -0.567 0 O-C-N 124.522 1.139 . . . . 0.0 110.369 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.541 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.69 120.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.424 1.078 . . . . 0.0 109.259 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 41.68 24.13 0.14 Allowed Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.485 1.115 . . . . 0.0 111.077 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.501 ' O ' ' N ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.24 154.35 7.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 0.773 . . . . 0.0 110.287 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.589 ' CD1' ' HB2' ' A' ' 455' ' ' GLU . 13.1 p90 -127.9 158.34 38.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.975 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.582 HE22 ' N ' ' A' ' 477' ' ' ILE . 0.0 OUTLIER -140.35 147.34 39.69 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.432 1.083 . . . . 0.0 110.353 179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.498 ' HA ' ' O ' ' A' ' 466' ' ' THR . 8.3 p -138.99 126.79 22.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.539 1.149 . . . . 0.0 108.275 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.582 ' N ' HE22 ' A' ' 475' ' ' GLN . 4.9 mm -85.53 115.64 27.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 0.0 109.293 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -120.24 -175.93 3.1 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.515 1.135 . . . . 0.0 108.304 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 35.9 mtt -87.53 148.83 45.12 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.612 1.195 . . . . 0.0 111.044 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 54.62 3.7 Favored 'Trans proline' 0 C--N 1.362 1.238 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -145.53 -42.13 0.05 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.533 1.146 . . . . 0.0 110.956 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 55.8 m-85 -104.55 171.19 7.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 0.73 . . . . 0.0 110.989 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.552 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 1.7 tt0 -155.23 -175.5 5.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.118 . . . . 0.0 110.285 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.446 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 108.3 -178.12 21.11 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.614 1.196 . . . . 0.0 110.894 179.875 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.516 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -72.53 -23.94 21.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.428 0.722 . . . . 0.0 109.363 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.516 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 45.2 m170 -104.65 3.81 32.0 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.477 1.11 . . . . 0.0 109.564 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 1.8 m 49.5 23.67 0.96 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 108.317 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.449 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.2 OUTLIER -114.94 7.44 15.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.359 1.037 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.552 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.3 t -88.51 116.04 29.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.603 1.189 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.564 ' H ' HG22 ' A' ' 509' ' ' ILE . 27.8 t-20 -67.11 143.71 56.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.425 ' O ' ' O ' ' A' ' 490' ' ' ASN . 1.6 m -37.55 157.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.4 1.062 . . . . 0.0 110.349 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -64.8 170.76 3.91 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.485 1.116 . . . . 0.0 109.342 179.902 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -149.38 20.09 0.95 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 4.6 p -107.85 35.94 2.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.572 1.17 . . . . 0.0 108.242 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.59 -17.13 60.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -85.75 -69.93 0.63 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.569 1.168 . . . . 0.0 109.956 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -125.47 96.26 39.1 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.601 1.188 . . . . 0.0 110.064 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -26.33 10.98 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.501 1.79 . . . . 0.0 111.016 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 41.69 74.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.145 . . . . 0.0 108.203 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.434 ' O ' ' N ' ' A' ' 502' ' ' ASN . 70.5 mt -95.23 162.97 13.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.418 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 2.8 m-70 69.14 -59.62 0.48 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 1.118 . . . . 0.0 109.594 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 0.1 OUTLIER -84.67 -2.77 57.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.312 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -173.35 171.14 44.26 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 7.0 ttt85 -129.24 114.15 15.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.444 0.732 . . . . 0.0 110.385 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.416 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 0.6 OUTLIER -74.0 121.24 20.74 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.494 1.121 . . . . 0.0 108.339 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.579 HD23 ' HE2' ' A' ' 508' ' ' LYS . 0.9 OUTLIER -100.35 131.76 46.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' A' ' 490' ' ' ASN . 3.3 t0 -95.95 90.17 5.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.383 1.052 . . . . 0.0 109.259 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.579 ' HE2' HD23 ' A' ' 506' ' ' LEU . 15.6 mmtt -85.82 153.03 22.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.564 HG22 ' H ' ' A' ' 490' ' ' ASN . 1.5 pp -69.81 62.81 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.608 1.192 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.4 t30 170.99 -63.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.275 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -139.49 179.11 6.75 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.429 1.08 . . . . 0.0 110.266 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.587 ' C ' ' CD1' ' A' ' 512' ' ' PHE . 0.1 OUTLIER -105.49 145.0 31.47 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.533 1.145 . . . . 0.0 110.969 -179.959 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -134.11 117.43 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.242 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -85.47 104.36 15.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 108.288 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.401 ' CG ' ' N ' ' A' ' 516' ' ' CYS . 0.0 OUTLIER -90.84 -150.51 0.23 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.553 1.158 . . . . 0.0 110.298 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . 0.401 ' N ' ' CG ' ' A' ' 515' ' ' GLU . 0.0 OUTLIER -98.4 148.44 34.53 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 108.255 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 148.99 36.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.401 1.737 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.453 HG23 ' O ' ' A' ' 518' ' ' THR . 14.4 t -157.3 37.17 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.567 1.167 . . . . 0.0 110.452 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . 176.85 38.71 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.476 1.11 . . . . 0.0 110.956 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -145.35 16.66 1.51 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.545 0.791 . . . . 0.0 111.047 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -158.79 162.09 37.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.363 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -42.33 -59.38 3.07 Favored Glycine 0 CA--C 1.531 1.065 0 O-C-N 124.472 1.107 . . . . 0.0 110.938 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -162.74 -179.73 7.06 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.497 0.763 . . . . 0.0 109.664 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 1.7 mp 70.64 152.7 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 3.7 t -47.24 -60.38 2.53 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 108.304 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -128.52 -178.14 4.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 109.255 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -89.59 154.33 3.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 109.367 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.501 ' O ' ' N ' ' A' ' 417' ' ' SER . 21.1 t0 -91.25 79.64 5.66 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.547 1.154 . . . . 0.0 109.313 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.716 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.4 mp0 -52.9 -18.33 1.88 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.548 1.155 . . . . 0.0 110.287 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.478 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.2 t -84.19 -21.68 31.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.273 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.501 ' N ' ' O ' ' A' ' 414' ' ' ASP . 9.3 t -82.17 -29.71 31.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.716 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -65.33 -70.91 0.21 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -176.25 34.03 0.09 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.448 1.092 . . . . 0.0 111.036 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -127.23 75.42 1.58 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -116.18 104.2 52.37 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.473 1.108 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.488 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.99 -42.48 0.5 Allowed 'Trans proline' 0 C--N 1.359 1.097 0 O-C-N 124.611 1.848 . . . . 0.0 110.948 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 57.5 m -49.72 -18.04 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 108.233 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.488 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.7 mt-10 73.9 -63.45 0.43 Allowed 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.543 1.152 . . . . 0.0 110.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -166.32 -42.21 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.528 1.143 . . . . 0.0 109.6 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.975 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -88.88 74.68 8.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.324 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.779 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 177.95 171.9 41.84 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.435 1.084 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.54 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.1 OUTLIER -104.0 126.82 51.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 0.751 . . . . 0.0 109.311 179.967 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.804 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -118.97 122.03 41.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 108.22 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.804 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.25 169.5 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.518 1.136 . . . . 0.0 109.289 -179.966 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.492 ' OD1' ' N ' ' A' ' 432' ' ' THR . 8.4 t30 -102.39 133.72 46.86 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.16 . . . . 0.0 109.3 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.492 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -122.99 172.21 8.67 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 110.377 -179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.0 122.52 25.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.515 1.135 . . . . 0.0 109.305 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.8 -44.79 3.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.451 1.094 . . . . 0.0 111.0 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . . . . . . . . . 7.1 m -132.79 173.32 11.5 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 0.79 . . . . 0.0 110.021 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 35.8 p90 -102.25 152.23 21.29 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.996 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.537 ' O ' ' N ' ' A' ' 430' ' ' ILE . 2.6 tt0 -113.94 144.5 42.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.489 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 24.0 t -143.71 124.93 14.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 108.335 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.594 ' HG3' HD11 ' A' ' 430' ' ' ILE . 9.0 mt-30 -85.86 158.29 19.99 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.411 1.069 . . . . 0.0 110.284 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.438 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 6.8 m -82.68 156.1 23.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 108.279 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.779 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -112.08 100.2 8.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.322 179.993 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 15.0 mm-40 66.97 -99.31 0.05 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -116.65 69.0 0.29 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.503 1.127 . . . . 0.0 111.044 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.975 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.1 m-85 -101.86 159.38 15.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 110.963 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.775 ' N ' ' O ' ' A' ' 451' ' ' ILE . 2.7 t -104.14 -123.51 0.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.591 1.182 . . . . 0.0 110.383 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.758 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.51 156.74 23.09 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.444 1.09 . . . . 0.0 110.95 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -28.65 8.94 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.492 1.785 . . . . 0.0 110.941 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.582 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 48.3 mmm-85 -110.01 -8.95 14.77 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.406 1.066 . . . . 0.0 110.259 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.582 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.1 t 95.84 61.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 108.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.708 ' O ' HD13 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -156.31 21.68 0.36 Allowed 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.625 1.203 . . . . 0.0 110.298 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.775 ' O ' ' N ' ' A' ' 445' ' ' THR . 27.8 mm -121.6 148.46 25.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.13 . . . . 0.0 109.33 179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.537 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -100.57 121.87 42.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.396 1.06 . . . . 0.0 109.305 -179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.526 ' CG2' ' N ' ' A' ' 454' ' ' ASN . 1.3 p -99.88 167.48 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.329 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.64 ' ND2' HG23 ' A' ' 457' ' ' VAL . 54.3 t-20 -102.06 108.61 20.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.404 1.065 . . . . 0.0 109.281 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.504 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 4.4 pm0 -85.74 -17.84 34.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.573 1.17 . . . . 0.0 110.219 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 7.5 p -90.35 6.81 41.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 108.315 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.64 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.8 OUTLIER -75.48 -58.84 3.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.237 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.635 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.0 OUTLIER -98.06 4.76 49.2 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 110.029 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.1 OUTLIER -139.8 51.4 2.99 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.46 1.1 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -74.98 8.96 2.17 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.556 1.819 . . . . 0.0 110.957 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.626 ' O ' ' O ' ' A' ' 462' ' ' GLN . 0.8 OUTLIER 75.1 2.06 3.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 108.31 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.626 ' O ' ' O ' ' A' ' 461' ' ' CYS . 2.1 pp0? 34.61 -164.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.601 ' ND2' ' H ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 77.36 -44.3 0.44 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.273 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.558 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 0.9 OUTLIER 152.06 -18.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.208 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.601 ' H ' ' ND2' ' A' ' 463' ' ' ASN . . . -38.39 147.31 0.05 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . . . . . . . . . 2.4 m -87.19 115.08 24.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 110.377 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.89 116.75 15.97 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.461 1.101 . . . . 0.0 108.289 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.523 ' HA ' HD23 ' A' ' 468' ' ' LEU . 4.2 mt -116.16 82.27 1.75 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.203 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -68.97 119.39 13.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 109.337 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.425 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.7 OUTLIER -118.12 -174.68 2.7 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.577 1.173 . . . . 0.0 110.428 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.685 HG21 ' HB2' ' A' ' 426' ' ' ALA . 0.5 OUTLIER -67.36 121.05 15.76 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 O-C-N 124.507 1.129 . . . . 0.0 109.257 -179.973 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 39.24 28.39 0.09 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.468 1.105 . . . . 0.0 111.002 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 471' ' ' ILE . 3.9 pt-20 -165.18 152.71 11.06 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 0.779 . . . . 0.0 110.369 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.517 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -144.03 157.08 44.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 111.017 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.472 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 6.0 pt20 -143.5 138.22 29.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.157 . . . . 0.0 110.301 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . . . . . . . . . 26.9 p -116.73 120.28 38.1 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 108.277 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.429 ' O ' ' HA ' ' A' ' 465' ' ' ALA . 35.6 mm -80.13 138.31 20.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.235 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 67.9 m -101.88 148.33 25.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . 0.401 ' HE3' ' CD1' ' A' ' 482' ' ' TYR . 2.7 ptt? -83.73 151.96 62.26 Favored Pre-proline 0 C--N 1.324 -0.531 0 O-C-N 124.456 1.097 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 63.22 5.96 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.491 1.785 . . . . 0.0 111.057 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.04 -41.32 0.02 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.479 1.112 . . . . 0.0 111.05 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.401 ' CD1' ' HE3' ' A' ' 479' ' ' MET . 48.6 m-85 -117.92 170.74 8.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.47 0.747 . . . . 0.0 110.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.592 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.0 OUTLIER -145.25 -179.26 6.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.112 . . . . 0.0 110.305 -179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.445 ' N ' ' OE1' ' A' ' 483' ' ' GLU . . . 109.94 -165.58 12.37 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.428 1.08 . . . . 0.0 111.088 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.405 ' O ' ' SG ' ' A' ' 461' ' ' CYS . 0.4 OUTLIER -77.2 -36.3 24.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.488 0.758 . . . . 0.0 109.338 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.507 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.3 OUTLIER -108.94 13.51 24.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.637 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.411 ' C ' ' O ' ' A' ' 486' ' ' HIS . 0.0 OUTLIER 41.31 49.93 3.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.447 1.092 . . . . 0.0 108.268 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.484 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 13.1 tt0 -118.63 -4.17 10.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.592 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -89.21 121.83 39.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.946 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.453 ' O ' ' O ' ' A' ' 491' ' ' THR . 5.9 p30 -64.49 91.11 0.08 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.515 HG22 ' H ' ' A' ' 492' ' ' ASP . 66.4 m 50.16 174.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.435 1.084 . . . . 0.0 110.386 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.515 ' H ' HG22 ' A' ' 491' ' ' THR . 1.4 t70 -95.83 149.95 20.96 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.417 ' OE2' ' N ' ' A' ' 493' ' ' GLU . 12.4 pm0 -139.18 21.1 2.6 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.394 1.059 . . . . 0.0 110.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 497' ' ' SER . 0.5 OUTLIER -129.39 30.35 4.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.42 1.075 . . . . 0.0 108.339 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.513 ' HB2' ' OD1' ' A' ' 492' ' ' ASP . . . -74.15 -15.97 61.01 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.525 1.141 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 2.6 m -81.92 -67.53 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.974 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.417 ' O ' ' SG ' ' A' ' 494' ' ' CYS . 1.0 OUTLIER -114.56 97.78 47.53 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.995 179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.427 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.6 Cg_endo -75.02 -3.99 14.75 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.403 1.739 . . . . 0.0 111.027 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.427 ' C ' ' O ' ' A' ' 498' ' ' PRO . 0.0 OUTLIER 39.61 62.43 1.19 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.343 1.027 . . . . 0.0 108.284 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.64 HD22 ' C ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -89.01 162.61 15.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.277 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.627 ' CG ' HD22 ' A' ' 500' ' ' LEU . 28.2 m170 68.63 -59.4 0.46 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 109.552 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.451 ' N ' ' O ' ' A' ' 500' ' ' LEU . 1.5 m120 -69.61 -7.66 40.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 109.247 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.491 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 156.13 -162.92 31.66 Favored Glycine 0 CA--C 1.531 1.075 0 O-C-N 124.44 1.087 . . . . 0.0 110.942 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 515' ' ' GLU . 7.0 ttt180 -130.15 142.13 50.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.602 0.825 . . . . 0.0 110.273 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 1.9 t -97.16 118.72 34.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 108.33 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.402 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 4.7 mp -92.93 131.54 37.85 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.455 ' HB3' HG21 ' A' ' 489' ' ' VAL . 0.4 OUTLIER -89.0 91.31 8.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.279 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -89.75 164.48 14.65 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.464 1.103 . . . . 0.0 109.313 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.484 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.0 pt -72.61 -23.92 21.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.286 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -85.87 -51.01 6.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.526 1.141 . . . . 0.0 109.267 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -166.32 -152.51 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.618 1.199 . . . . 0.0 110.272 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.402 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 53.7 p90 -124.08 143.81 50.23 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 110.98 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.02 130.25 39.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.595 1.185 . . . . 0.0 110.321 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 31.6 m -90.11 82.15 6.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.419 1.074 . . . . 0.0 108.294 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 504' ' ' ARG . 3.1 pt-20 -53.69 171.99 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.446 1.091 . . . . 0.0 110.39 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.6 p -97.33 135.67 21.72 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.108 . . . . 0.0 108.267 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.491 ' HD3' ' CA ' ' A' ' 503' ' ' GLY . 18.5 Cg_endo -74.95 -166.89 0.37 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.535 1.808 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 3.0 m -159.97 -44.51 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.385 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -37.73 -51.13 1.96 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.13 . . . . 0.0 110.976 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.463 ' CE2' ' O ' ' A' ' 501' ' ' HIS . 18.2 m-85 -65.08 88.35 0.07 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.465 0.744 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 31.1 p -60.32 83.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 110.383 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.421 ' N ' ' O ' ' A' ' 520' ' ' PHE . . . -146.39 -46.89 0.03 OUTLIER Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.531 1.144 . . . . 0.0 111.028 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 14.1 t-80 -125.65 85.63 2.43 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.416 0.715 . . . . 0.0 109.567 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.449 ' H ' HD23 ' A' ' 524' ' ' LEU . 1.0 OUTLIER -41.25 121.26 1.56 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 5.3 t -126.44 145.73 50.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.465 1.103 . . . . 0.0 108.246 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.389 1.056 . . . . 0.0 110.322 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -139.33 179.93 6.25 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.453 1.096 . . . . 0.0 109.255 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.418 ' CG1' ' HG3' ' A' ' 415' ' ' GLU . 0.3 OUTLIER -85.21 151.33 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.262 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.41 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 56.3 t0 -92.28 77.7 5.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.48 1.112 . . . . 0.0 109.376 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.751 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -55.85 -17.53 6.56 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.494 ' SG ' ' CD1' ' A' ' 436' ' ' PHE . 0.5 OUTLIER -82.05 -16.92 48.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 108.308 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.408 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.9 t -103.88 -23.51 13.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.083 . . . . 0.0 110.007 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.751 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -65.0 -79.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.443 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -169.53 29.12 0.14 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.418 1.074 . . . . 0.0 110.988 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . . . . . . . . . . . -126.18 79.1 1.82 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.6 0.823 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -111.01 104.48 56.25 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.483 1.114 . . . . 0.0 109.251 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.486 ' C ' ' H ' ' A' ' 424' ' ' GLU . 18.2 Cg_endo -75.1 -27.03 10.2 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.464 1.77 . . . . 0.0 111.015 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.531 ' O ' ' C ' ' A' ' 424' ' ' GLU . 0.0 OUTLIER -73.85 47.17 0.25 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.42 1.075 . . . . 0.0 108.281 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.531 ' C ' ' O ' ' A' ' 423' ' ' CYS . 9.6 mm-40 27.24 -107.61 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.591 1.182 . . . . 0.0 110.348 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 32.9 m-70 -132.17 8.11 4.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 109.623 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.4 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -137.11 80.6 1.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.265 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.855 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . -179.82 -173.56 44.97 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.455 1.097 . . . . 0.0 111.046 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.46 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -111.32 134.74 52.68 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.559 0.8 . . . . 0.0 109.255 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.724 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -125.1 110.3 13.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 108.329 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.777 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -113.87 169.14 5.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.408 1.068 . . . . 0.0 109.296 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.464 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.3 t30 -107.33 136.3 47.37 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.112 . . . . 0.0 109.403 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.464 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -127.73 170.83 12.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 110.449 -179.953 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.6 mt -75.73 123.04 24.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.278 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 81.71 -44.81 3.17 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.413 ' O ' ' CB ' ' A' ' 432' ' ' THR . 9.0 t -133.34 172.9 12.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.501 0.765 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.494 ' CD1' ' SG ' ' A' ' 416' ' ' CYS . 10.6 p90 -105.27 152.52 22.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.972 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.446 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.6 tt0 -111.85 145.21 39.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.489 1.118 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.502 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 6.0 t -141.82 125.56 16.96 Favored 'General case' 0 C--N 1.323 -0.558 0 O-C-N 124.568 1.168 . . . . 0.0 108.396 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.615 ' HG3' HD11 ' A' ' 430' ' ' ILE . 35.8 mt-30 -84.37 153.89 23.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.338 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 6.1 m -83.52 148.13 27.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 108.261 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.855 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.2 OUTLIER -106.43 104.15 13.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.538 ' NE2' ' CD1' ' A' ' 441' ' ' LEU . 0.7 OUTLIER 68.14 -93.76 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 110.254 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -127.21 75.0 0.42 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.473 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 1.4 m-85 -102.28 160.34 14.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.513 0.773 . . . . 0.0 111.03 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.968 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.8 t -103.35 -122.82 0.19 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.44 1.088 . . . . 0.0 110.358 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 83.93 161.5 32.37 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.567 1.167 . . . . 0.0 111.017 -179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -32.33 5.51 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.486 1.782 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.619 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 29.3 mmt-85 -110.64 -8.63 14.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.458 1.099 . . . . 0.0 110.313 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.619 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 4.8 t 98.43 65.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.492 1.12 . . . . 0.0 108.253 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.955 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.8 OUTLIER -156.84 19.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.298 -179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.968 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.6 mp -123.55 145.9 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.473 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.22 122.18 39.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.549 1.156 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.519 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.0 OUTLIER -99.12 166.6 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.926 ' O ' HG13 ' A' ' 457' ' ' VAL . 58.5 t-20 -102.18 98.94 9.03 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.308 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.512 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.6 pm0 -73.82 -2.69 24.66 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.142 . . . . 0.0 110.252 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.469 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 2.5 t -89.24 3.28 52.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.315 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.926 HG13 ' O ' ' A' ' 454' ' ' ASN . 5.1 m -77.85 -31.06 16.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.467 1.105 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 14.6 m -106.29 -10.06 16.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.457 1.098 . . . . 0.0 110.029 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.544 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.3 OUTLIER -138.03 58.04 14.55 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.443 1.089 . . . . 0.0 109.281 -179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.544 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.5 Cg_endo -75.01 -6.27 17.84 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.771 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.1 OUTLIER 73.49 22.79 2.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 0.0 108.253 179.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.586 ' O ' ' CB ' ' A' ' 463' ' ' ASN . 0.8 OUTLIER -46.62 127.47 9.52 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.446 1.091 . . . . 0.0 110.266 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.586 ' CB ' ' O ' ' A' ' 462' ' ' GLN . 0.6 OUTLIER 148.34 -20.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.55 ' CB ' ' O ' ' A' ' 463' ' ' ASN . 3.2 m-20 152.14 -20.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.771 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -70.98 160.56 32.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.417 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.1 m -105.27 110.12 22.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.601 1.188 . . . . 0.0 110.353 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -57.35 150.5 18.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.124 . . . . 0.0 108.34 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.438 HD23 ' HA ' ' A' ' 468' ' ' LEU . 8.4 mt -160.99 86.39 0.7 Allowed 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -73.45 132.81 43.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.459 ' CB ' ' HG3' ' A' ' 473' ' ' GLU . 0.8 OUTLIER -121.38 -177.03 3.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.413 1.07 . . . . 0.0 110.281 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.573 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.5 OUTLIER -64.29 126.33 22.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.493 1.121 . . . . 0.0 109.321 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 38.94 27.92 0.06 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.513 1.133 . . . . 0.0 111.076 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.459 ' HG3' ' CB ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -165.72 166.56 17.8 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.416 0.715 . . . . 0.0 110.318 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.564 ' CD1' ' C ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -141.26 151.35 43.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.435 1.085 . . . . 0.0 111.014 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.408 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 0.0 OUTLIER -141.67 155.58 45.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 466' ' ' THR . 16.5 p -148.79 126.53 11.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.462 1.101 . . . . 0.0 108.338 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . . . . . . . . . 39.5 mm -81.25 110.91 17.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.276 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 1.6 m -101.38 166.64 10.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 108.258 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 5.0 mmt -94.77 155.29 39.47 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.96 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 75.88 3.56 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.495 1.787 . . . . 0.0 111.002 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -177.52 -34.7 0.05 OUTLIER Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.526 1.141 . . . . 0.0 111.009 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 27.0 m-85 -94.02 171.59 8.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.459 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.4 OUTLIER -154.45 179.52 8.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.936 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.528 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 111.21 179.91 20.07 Favored Glycine 0 CA--C 1.532 1.096 0 O-C-N 124.524 1.14 . . . . 0.0 110.956 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.66 ' CG1' ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -79.74 -25.18 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 0.763 . . . . 0.0 109.25 179.938 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.66 ' CD2' ' CG1' ' A' ' 485' ' ' VAL . 8.0 m80 -107.98 -4.23 18.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 109.556 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.695 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 59.4 m 71.64 6.01 5.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.329 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -92.0 17.09 9.82 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 110.218 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.528 ' CG2' ' HA3' ' A' ' 484' ' ' GLY . 2.5 t -110.38 105.27 18.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.57 1.169 . . . . 0.0 109.329 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.441 ' CB ' ' HA ' ' A' ' 509' ' ' ILE . 22.9 t-20 -66.23 142.56 57.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.252 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 4.2 m -39.43 154.47 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.405 1.066 . . . . 0.0 110.374 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -97.33 148.64 22.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.082 . . . . 0.0 109.262 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -136.34 26.73 3.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.557 1.161 . . . . 0.0 110.274 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.405 ' SG ' ' HA ' ' A' ' 498' ' ' PRO . 32.1 t -84.96 0.87 49.85 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.496 1.122 . . . . 0.0 108.271 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -63.62 -26.46 68.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.481 1.113 . . . . 0.0 109.247 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.88 -54.61 4.76 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.401 1.063 . . . . 0.0 109.931 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 3.8 m -113.72 105.68 54.51 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.405 ' HA ' ' SG ' ' A' ' 494' ' ' CYS . 18.5 Cg_endo -74.94 -24.42 12.97 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.399 1.736 . . . . 0.0 110.955 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.422 ' O ' ' O ' ' A' ' 503' ' ' GLY . 1.2 m 48.42 75.01 0.15 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 108.346 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.927 HD22 ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER -111.19 118.2 35.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.336 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.554 ' HB3' HD22 ' A' ' 500' ' ' LEU . 0.0 OUTLIER 81.19 -45.42 0.22 Allowed 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.533 1.145 . . . . 0.0 109.612 -179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 6.8 m-20 -67.99 -17.0 64.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.486 ' CA ' ' HD3' ' A' ' 517' ' ' PRO . . . 158.31 -160.31 30.8 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.471 1.107 . . . . 0.0 110.978 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.94 140.59 52.22 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.515 0.774 . . . . 0.0 110.25 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 30.5 p -97.98 118.2 34.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.569 1.168 . . . . 0.0 108.265 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 512' ' ' PHE . 5.1 mp -99.16 151.6 20.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 109.256 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -108.35 89.59 3.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.34 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -82.74 156.85 23.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.506 1.128 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.499 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -73.45 71.38 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.438 1.086 . . . . 0.0 109.341 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.499 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 3.9 m-20 156.42 -42.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -159.13 -173.92 4.46 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.504 1.127 . . . . 0.0 110.273 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.423 ' HA ' ' O ' ' A' ' 506' ' ' LEU . 20.1 p90 -114.55 144.32 43.57 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.395 1.059 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -118.83 108.85 15.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.431 1.082 . . . . 0.0 110.3 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -77.97 82.41 4.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.094 . . . . 0.0 108.256 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -58.02 167.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.178 . . . . 0.0 110.295 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.2 138.07 20.5 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 108.262 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.543 ' HG2' ' CE1' ' A' ' 520' ' ' PHE . 18.3 Cg_endo -75.05 176.3 10.11 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.474 1.776 . . . . 0.0 110.917 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.416 HG23 ' O ' ' A' ' 518' ' ' THR . 8.8 t -152.35 44.67 0.71 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.505 1.128 . . . . 0.0 110.349 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -141.76 -47.38 0.05 OUTLIER Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.509 1.131 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 517' ' ' PRO . 8.3 p90 -56.03 160.51 2.78 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 0.761 . . . . 0.0 111.043 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 49.1 p -136.22 102.94 5.15 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -176.72 -128.86 1.17 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.505 1.128 . . . . 0.0 110.987 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -72.73 133.66 44.66 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.476 0.751 . . . . 0.0 109.567 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.575 ' H ' HD23 ' A' ' 524' ' ' LEU . 0.5 OUTLIER -45.87 142.28 2.66 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.454 1.096 . . . . 0.0 109.35 179.984 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 15.4 p -65.43 130.7 44.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.355 1.034 . . . . 0.0 108.303 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.508 1.13 . . . . 0.0 110.354 179.961 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.295 -0.261 . . . . 0.0 110.295 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -160.03 -179.51 7.85 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.573 1.17 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -85.89 153.58 3.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.432 1.083 . . . . 0.0 109.337 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.541 ' O ' ' N ' ' A' ' 417' ' ' SER . 10.0 t0 -90.59 82.46 5.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 0.0 109.376 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.679 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.2 mp0 -50.76 -20.58 1.3 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.446 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.4 t -81.85 -22.58 36.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 108.259 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.541 ' N ' ' O ' ' A' ' 414' ' ' ASP . 6.1 t -86.97 -25.92 24.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.57 1.169 . . . . 0.0 109.983 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.679 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.0 OUTLIER -68.41 -81.55 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.235 -180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.19 25.52 0.19 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.494 1.122 . . . . 0.0 111.013 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.446 ' O ' ' HA ' ' A' ' 416' ' ' CYS . . . -127.43 75.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.452 0.736 . . . . 0.0 109.377 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -116.61 106.82 47.7 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.363 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.494 ' CG ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -75.04 -37.69 1.89 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.56 1.821 . . . . 0.0 110.937 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . . . . . . . . . 3.4 m -46.85 -22.19 0.29 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.548 1.155 . . . . 0.0 108.284 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 1.8 mt-10 66.81 -90.48 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.403 ' CE1' ' CG2' ' A' ' 471' ' ' ILE . 2.4 p80 -128.26 -39.21 1.72 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.402 1.064 . . . . 0.0 109.594 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.832 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -109.69 108.74 19.23 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.16 153.65 6.34 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.517 1.136 . . . . 0.0 110.978 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.758 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -85.89 136.11 33.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 0.775 . . . . 0.0 109.313 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.778 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -128.88 121.86 29.09 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.542 1.151 . . . . 0.0 108.321 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.778 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.57 168.17 16.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.159 . . . . 0.0 109.311 179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . . . . . . . . . 39.1 t-20 -105.6 129.76 53.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.306 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.405 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -120.04 171.92 8.11 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.514 1.133 . . . . 0.0 110.494 179.951 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 4.0 mt -77.42 122.17 24.81 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 109.347 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.94 -44.46 3.27 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.405 ' O ' ' OG1' ' A' ' 432' ' ' THR . 12.6 t -132.3 174.59 10.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 109.92 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.4 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 22.4 p90 -108.0 147.8 30.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 111.002 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.449 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 5.0 tt0 -107.42 145.62 32.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.574 1.171 . . . . 0.0 110.287 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.479 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 27.0 t -142.87 127.75 18.31 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.584 1.178 . . . . 0.0 108.197 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.6 ' HG3' HD11 ' A' ' 430' ' ' ILE . 25.1 mt-30 -89.39 150.0 22.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.532 1.145 . . . . 0.0 110.238 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.429 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 1.7 m -84.73 171.16 12.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.585 ' CD1' ' N ' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -154.08 128.56 9.21 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.559 1.162 . . . . 0.0 109.269 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 67.6 -95.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.4 1.062 . . . . 0.0 110.26 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -148.58 77.67 0.24 Allowed Glycine 0 CA--C 1.531 1.08 0 O-C-N 124.395 1.06 . . . . 0.0 110.944 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.832 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 2.4 m-85 -104.11 161.77 13.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.585 0.815 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.943 HG23 HG22 ' A' ' 451' ' ' ILE . 1.3 t -102.56 -120.37 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.425 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.836 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 84.75 161.95 34.39 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.581 1.176 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . 0.487 ' CD ' HD13 ' A' ' 451' ' ' ILE . 18.1 Cg_endo -75.07 -32.3 5.41 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.504 1.792 . . . . 0.0 110.944 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.629 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.1 OUTLIER -112.98 -7.33 13.72 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.491 1.119 . . . . 0.0 110.311 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.629 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 99.05 69.87 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 108.285 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.67 ' C ' HD12 ' A' ' 451' ' ' ILE . 1.2 pm0 -162.48 23.19 0.1 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.251 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.943 HG22 HG23 ' A' ' 445' ' ' THR . 2.2 mp -128.79 146.52 34.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.539 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -95.66 128.79 42.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.933 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.566 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.72 158.58 3.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 O-C-N 124.544 1.153 . . . . 0.0 109.251 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.765 ' ND2' HG23 ' A' ' 457' ' ' VAL . 41.6 t-20 -79.16 106.0 10.88 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -79.3 -19.55 50.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.456 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.5 OUTLIER -97.82 23.22 8.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 108.279 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.765 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.5 OUTLIER -93.98 -57.17 4.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.533 1.145 . . . . 0.0 109.366 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.615 ' N ' HG12 ' A' ' 457' ' ' VAL . 0.2 OUTLIER -94.17 4.13 54.31 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 0.0 109.963 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.667 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -140.87 50.76 2.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 109.393 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.667 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -75.0 1.51 7.65 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.492 1.785 . . . . 0.0 111.069 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 487' ' ' CYS . 0.8 OUTLIER 72.54 21.92 3.48 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.445 1.09 . . . . 0.0 108.344 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.52 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 3.4 tt0 87.83 -149.66 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 0.0 110.37 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -101.61 -27.22 13.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.588 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 0.5 OUTLIER -92.77 62.26 3.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.302 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.589 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 170.99 137.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.535 1.147 . . . . 0.0 109.257 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.494 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 32.9 m -76.92 154.56 33.55 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.592 1.183 . . . . 0.0 110.443 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.461 ' O ' HD23 ' A' ' 468' ' ' LEU . 0.1 OUTLIER -124.95 128.21 48.25 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.529 1.143 . . . . 0.0 108.328 -179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.461 HD23 ' O ' ' A' ' 467' ' ' CYS . 31.4 mt -126.08 102.81 7.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -76.11 121.2 22.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 109.341 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.6 -172.89 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.54 1.15 . . . . 0.0 110.304 179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.558 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -68.83 117.05 10.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.58 1.175 . . . . 0.0 109.311 -179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.63 23.34 0.33 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.523 1.14 . . . . 0.0 110.982 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.493 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -167.5 154.81 8.63 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.503 0.766 . . . . 0.0 110.322 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.663 ' CE2' ' O ' ' A' ' 459' ' ' ASN . 0.7 OUTLIER -141.14 162.0 36.52 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 111.052 179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.448 HE21 HD11 ' A' ' 477' ' ' ILE . 6.1 pt20 -140.14 133.16 29.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.561 1.163 . . . . 0.0 110.291 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 466' ' ' THR . 18.3 p -113.14 136.9 52.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.536 1.147 . . . . 0.0 108.303 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.448 HD11 HE21 ' A' ' 475' ' ' GLN . 41.7 mm -93.53 119.43 41.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.475 1.109 . . . . 0.0 109.36 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 7.4 m -101.73 164.12 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 108.287 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.7 mtp -84.69 152.83 60.57 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.992 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 59.53 5.21 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.779 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -158.72 -40.45 0.02 OUTLIER Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.972 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.414 ' HE2' HG23 ' A' ' 509' ' ' ILE . 40.5 m-85 -116.87 171.41 7.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.431 0.724 . . . . 0.0 111.041 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.539 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.1 OUTLIER -152.37 -176.11 5.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.492 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 110.6 -176.45 18.83 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 110.97 179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -77.42 -22.35 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.44 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.0 OUTLIER -107.04 7.33 29.71 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.543 1.152 . . . . 0.0 109.561 -179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.76 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 58.2 m 45.74 31.98 1.13 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.458 1.099 . . . . 0.0 108.327 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -124.38 10.29 8.57 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.365 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.539 ' HB ' ' O ' ' A' ' 483' ' ' GLU . 4.9 t -89.35 109.93 20.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.534 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.4 OUTLIER -64.22 131.6 47.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 109.285 179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.432 HG23 ' OE2' ' A' ' 493' ' ' GLU . 8.8 t -40.36 159.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.469 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.412 ' HA ' ' OD1' ' A' ' 507' ' ' ASP . 0.4 OUTLIER -78.07 151.75 33.28 Favored 'General case' 0 C--N 1.327 -0.407 0 O-C-N 124.408 1.068 . . . . 0.0 109.331 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.557 ' HB3' ' CD1' ' A' ' 512' ' ' PHE . 1.1 mp0 -141.01 13.2 2.24 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.534 1.146 . . . . 0.0 110.287 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 49.7 t -84.89 -25.25 28.07 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 108.342 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -73.99 -14.84 61.09 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.556 1.16 . . . . 0.0 109.327 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -56.61 2.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.413 1.07 . . . . 0.0 110.01 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.597 ' OG ' ' CD2' ' A' ' 512' ' ' PHE . 0.2 OUTLIER -119.62 83.75 28.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.512 1.132 . . . . 0.0 110.027 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.423 ' O ' ' HG ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.97 63.49 5.97 Favored 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.561 1.821 . . . . 0.0 110.978 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.9 OUTLIER -64.18 94.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 108.276 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.694 ' O ' HD12 ' A' ' 500' ' ' LEU . 0.2 OUTLIER -126.77 154.13 44.64 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.503 ' O ' ' CB ' ' A' ' 517' ' ' PRO . 2.9 m-70 69.53 -56.47 0.56 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.646 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.434 ' N ' ' O ' ' A' ' 500' ' ' LEU . 22.2 m120 -84.05 -20.78 32.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.402 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . -168.05 -167.81 29.26 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -129.17 139.6 51.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.399 0.705 . . . . 0.0 110.29 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 18.2 p -85.53 109.51 18.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 108.283 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.605 HD22 ' CD ' ' A' ' 515' ' ' GLU . 6.2 tp -103.18 131.68 50.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.352 1.033 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.412 ' OD1' ' HA ' ' A' ' 492' ' ' ASP . 0.6 OUTLIER -102.08 88.29 3.3 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 179.96 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 36.1 mtmt -86.29 174.51 9.02 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.464 ' CG1' ' ND2' ' A' ' 490' ' ' ASN . 1.1 mp -91.89 73.11 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 109.239 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.451 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 1.0 OUTLIER 159.26 -44.27 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -163.33 -177.52 5.37 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.553 1.158 . . . . 0.0 110.231 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.597 ' CD2' ' OG ' ' A' ' 497' ' ' SER . 16.1 p90 -107.16 145.31 32.71 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 111.002 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -123.5 134.11 53.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 110.227 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 56.0 m -86.1 93.6 9.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 108.233 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.605 ' CD ' HD22 ' A' ' 506' ' ' LEU . 0.6 OUTLIER -70.72 -161.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.442 1.089 . . . . 0.0 110.305 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 20.2 p -98.52 146.64 31.93 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 108.296 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.503 ' CB ' ' O ' ' A' ' 501' ' ' HIS . 18.7 Cg_endo -74.9 -162.23 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.546 1.814 . . . . 0.0 111.026 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 520' ' ' PHE . 0.6 OUTLIER -135.25 -42.2 0.72 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.321 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 518' ' ' THR . . . -35.79 -32.16 0.04 OUTLIER Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.409 1.068 . . . . 0.0 111.026 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.475 ' N ' ' O ' ' A' ' 518' ' ' THR . 83.5 m-85 -86.73 42.08 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 0.723 . . . . 0.0 111.047 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 518' ' ' THR . 0.8 OUTLIER -177.15 -43.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.457 1.098 . . . . 0.0 110.47 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.424 ' O ' ' CD2' ' A' ' 523' ' ' HIS . . . 66.12 59.75 7.11 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.424 ' CD2' ' O ' ' A' ' 522' ' ' GLY . 0.6 OUTLIER 167.27 51.98 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.401 0.706 . . . . 0.0 109.62 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 3.7 mp 58.69 168.55 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 109.359 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.5 69.88 3.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 108.286 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 42.5 mt-30 . . . . . 0 C--N 1.326 -0.42 0 O-C-N 124.462 1.101 . . . . 0.0 110.326 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -123.45 -178.78 4.11 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.483 1.115 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.4 HG12 ' OE2' ' A' ' 415' ' ' GLU . 0.4 OUTLIER -89.78 155.95 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.418 1.074 . . . . 0.0 109.306 -179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.475 ' O ' ' N ' ' A' ' 417' ' ' SER . 18.5 t0 -85.79 78.58 9.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.305 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.715 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.6 mp0 -53.97 -17.28 2.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.483 1.114 . . . . 0.0 110.32 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.459 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 1.7 t -85.08 -18.9 32.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.423 1.077 . . . . 0.0 108.302 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' O ' ' A' ' 414' ' ' ASP . 7.4 t -87.35 -28.19 22.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 110.013 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.715 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.9 OUTLIER -64.81 -72.01 0.16 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.353 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -174.2 32.86 0.1 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.564 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.74 75.6 1.57 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 0.749 . . . . 0.0 109.266 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 11.5 t30 -105.91 105.86 54.79 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.439 1.087 . . . . 0.0 109.259 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.48 ' CB ' ' HG3' ' A' ' 450' ' ' GLU . 18.1 Cg_endo -74.99 -45.48 0.28 Allowed 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.508 1.793 . . . . 0.0 110.999 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.433 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 5.1 m -48.43 -19.11 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.554 1.159 . . . . 0.0 108.283 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 72.91 -57.31 0.64 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.55 1.156 . . . . 0.0 110.331 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.465 ' CD2' ' H ' ' A' ' 426' ' ' ALA . 0.3 OUTLIER -162.54 -42.35 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.538 1.149 . . . . 0.0 109.588 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.977 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -102.35 108.63 20.04 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.423 1.077 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.41 ' HA3' ' HB3' ' A' ' 423' ' ' CYS . . . 148.64 165.39 12.12 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.424 1.078 . . . . 0.0 110.962 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.708 ' HE3' HD12 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -93.44 138.66 31.53 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.713 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -127.43 121.27 30.41 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 108.305 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.713 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -123.12 169.45 14.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.226 -179.893 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.409 ' OD1' ' C ' ' A' ' 431' ' ' ASN . 5.7 t30 -102.29 126.66 49.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.482 1.114 . . . . 0.0 109.383 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.446 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -115.75 170.59 8.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.58 1.175 . . . . 0.0 110.43 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . . . . . . . . . 5.3 mt -77.94 121.03 23.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.311 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.08 -45.46 3.49 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.56 1.163 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.453 ' HA ' ' OE1' ' A' ' 415' ' ' GLU . 8.7 m -132.47 171.94 13.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 0.749 . . . . 0.0 109.935 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.46 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.2 p90 -98.13 155.77 16.99 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.125 . . . . 0.0 111.009 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 438' ' ' CYS . 2.8 tt0 -119.91 146.24 45.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.569 1.168 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 1.4 t -142.08 130.42 22.33 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 1.15 . . . . 0.0 108.315 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.659 ' HG3' HD11 ' A' ' 430' ' ' ILE . 30.4 mt-30 -86.88 158.92 19.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.457 1.098 . . . . 0.0 110.26 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -83.5 172.06 12.77 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 108.267 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.665 HD22 ' O ' ' A' ' 441' ' ' LEU . 0.0 OUTLIER -158.16 119.76 3.56 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 -179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.417 ' HB2' ' O ' ' A' ' 441' ' ' LEU . 0.3 OUTLIER 70.12 -95.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 110.296 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -143.06 73.29 0.36 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.553 1.158 . . . . 0.0 111.052 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.977 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -104.38 160.84 14.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 110.919 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.767 ' N ' ' O ' ' A' ' 451' ' ' ILE . 3.6 t -102.89 -125.87 0.21 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.439 1.087 . . . . 0.0 110.392 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.681 ' N ' ' HB ' ' A' ' 451' ' ' ILE . . . 87.11 163.03 38.4 Favored Glycine 0 CA--C 1.532 1.123 0 O-C-N 124.416 1.072 . . . . 0.0 110.896 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -74.99 -32.93 4.99 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.52 1.8 . . . . 0.0 111.006 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.508 ' C ' ' OE2' ' A' ' 450' ' ' GLU . 18.7 mmt-85 -119.66 9.18 11.36 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.481 1.113 . . . . 0.0 110.309 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.53 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.1 OUTLIER 85.69 65.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.443 1.089 . . . . 0.0 108.227 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.758 ' O ' HD13 ' A' ' 451' ' ' ILE . 14.3 pm0 -153.77 19.1 0.53 Allowed 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.566 1.166 . . . . 0.0 110.221 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' A' ' 445' ' ' THR . 36.5 mm -127.54 147.53 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.42 1.075 . . . . 0.0 109.263 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.602 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 5.4 t0 -101.17 122.05 42.92 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.429 1.08 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.513 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 1.4 p -98.7 166.28 2.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 O-C-N 124.448 1.092 . . . . 0.0 109.271 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.685 ' ND2' HG23 ' A' ' 457' ' ' VAL . 45.0 t-20 -101.85 110.19 22.11 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.465 1.103 . . . . 0.0 109.276 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.513 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 3.2 pm0 -84.74 -19.98 31.82 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.228 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 474' ' ' PHE . 1.7 p -92.82 14.63 16.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 108.363 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.685 HG23 ' ND2' ' A' ' 454' ' ' ASN . 0.7 OUTLIER -81.64 -58.12 4.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.904 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.629 ' N ' HG12 ' A' ' 457' ' ' VAL . 1.1 t -107.89 3.73 24.59 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 109.97 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.591 ' N ' ' HD3' ' A' ' 460' ' ' PRO . 0.0 OUTLIER -138.19 55.52 8.9 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.573 1.171 . . . . 0.0 109.331 179.914 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.591 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -74.96 -3.54 14.08 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.564 1.823 . . . . 0.0 110.98 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.586 ' SG ' ' CB ' ' A' ' 465' ' ' ALA . 0.0 OUTLIER 78.79 0.41 2.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.152 . . . . 0.0 108.268 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.548 HE22 ' ND2' ' A' ' 463' ' ' ASN . 2.8 pp0? 34.05 -157.48 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.548 ' ND2' HE22 ' A' ' 462' ' ' GLN . 0.3 OUTLIER 72.09 30.15 2.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.294 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.412 ' HB3' ' O ' ' A' ' 463' ' ' ASN . 46.6 t0 69.28 17.48 8.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.359 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.694 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -81.0 121.67 26.34 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.43 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 4.1 m -69.85 108.87 4.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.489 1.118 . . . . 0.0 110.382 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -64.47 136.56 57.2 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.475 1.109 . . . . 0.0 108.239 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.664 HD12 HE21 ' A' ' 475' ' ' GLN . 3.5 mt -135.18 84.56 2.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.557 1.161 . . . . 0.0 109.402 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -65.19 118.65 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.148 . . . . 0.0 109.234 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.469 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -120.9 -173.38 2.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.55 1.156 . . . . 0.0 110.277 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.553 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.5 OUTLIER -63.59 115.63 2.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.426 1.079 . . . . 0.0 109.354 179.902 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.412 ' O ' ' HB3' ' A' ' 442' ' ' GLN . . . 38.76 28.83 0.07 OUTLIER Glycine 0 CA--C 1.529 0.908 0 O-C-N 124.437 1.086 . . . . 0.0 110.995 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.49 ' CD ' ' CD1' ' A' ' 471' ' ' ILE . 3.6 pt-20 -164.67 153.19 12.49 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.413 0.714 . . . . 0.0 110.373 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.576 ' CD1' ' HB3' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -145.4 160.76 41.07 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 111.0 179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.664 HE21 HD12 ' A' ' 468' ' ' LEU . 2.8 pp0? -143.53 151.65 40.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.594 1.184 . . . . 0.0 110.296 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.694 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 12.8 p -124.83 116.87 22.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 108.289 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.491 HD13 ' HA ' ' A' ' 477' ' ' ILE . 0.8 OUTLIER -75.73 110.34 10.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.331 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 3.2 t -111.8 178.24 4.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 1.11 . . . . 0.0 108.233 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 13.0 mtp -84.02 151.21 60.06 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.941 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 52.73 3.13 Favored 'Trans proline' 0 C--N 1.362 1.245 0 O-C-N 124.476 1.777 . . . . 0.0 110.989 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -138.88 -40.89 0.09 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.42 1.075 . . . . 0.0 111.074 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 -107.97 169.44 8.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.541 0.789 . . . . 0.0 110.984 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.409 ' O ' HG22 ' A' ' 489' ' ' VAL . 3.5 tt0 -152.42 178.12 9.88 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.547 1.154 . . . . 0.0 110.199 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 114.19 -174.55 15.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.591 1.182 . . . . 0.0 111.013 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -69.24 -38.38 77.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.516 0.774 . . . . 0.0 109.259 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.579 ' H ' ' CD2' ' A' ' 486' ' ' HIS . 0.1 OUTLIER -109.09 13.75 24.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.633 179.947 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.417 ' O ' ' OD1' ' A' ' 463' ' ' ASN . 40.8 t 43.51 27.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 108.255 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 486' ' ' HIS . 28.4 tt0 -98.48 0.22 44.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.385 1.053 . . . . 0.0 110.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 483' ' ' GLU . 1.7 m -101.68 125.28 55.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 491' ' ' THR . 28.2 t-20 -68.12 144.5 55.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.349 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.26 179.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.467 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -89.98 171.35 9.63 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.597 1.186 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.406 ' OE1' ' N ' ' A' ' 493' ' ' GLU . 1.9 pm0 -148.35 18.83 1.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.443 1.089 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -119.19 28.78 8.03 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 108.304 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -67.97 -14.46 62.98 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.08 10.73 8.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.992 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -137.32 103.46 8.73 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.133 . . . . 0.0 110.058 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.418 ' C ' ' N ' ' A' ' 500' ' ' LEU . 18.3 Cg_endo -74.92 -34.79 3.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.486 1.782 . . . . 0.0 110.969 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.465 ' O ' ' O ' ' A' ' 500' ' ' LEU . 0.0 OUTLIER 60.8 9.92 2.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.098 . . . . 0.0 108.301 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.528 ' HA ' HD12 ' A' ' 500' ' ' LEU . 5.3 tp 46.65 -176.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.468 1.105 . . . . 0.0 109.304 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -76.22 -13.05 60.18 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.587 1.18 . . . . 0.0 109.62 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.45 ' C ' ' ND2' ' A' ' 502' ' ' ASN . 1.0 OUTLIER -70.76 -11.1 60.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 109.293 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . . . . . . . . . . . -155.37 135.81 4.8 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.506 1.129 . . . . 0.0 111.018 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -108.58 114.09 27.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.54 0.788 . . . . 0.0 110.289 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.28 100.71 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.165 . . . . 0.0 108.34 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . . . . . . . . . 10.1 mt -74.96 132.04 41.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.436 1.085 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -83.52 86.24 7.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.216 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 12.6 mtmt -88.77 137.42 32.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 109.362 179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.425 ' O ' ' ND2' ' A' ' 510' ' ' ASN . 1.4 mt -70.55 66.88 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.339 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.425 ' ND2' ' O ' ' A' ' 509' ' ' ILE . 0.5 OUTLIER 163.38 -30.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.627 1.205 . . . . 0.0 109.293 -179.924 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -171.17 -170.64 0.86 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.105 . . . . 0.0 110.248 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 19.2 p90 -119.99 145.2 47.02 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.495 1.122 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.59 108.85 10.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.592 1.182 . . . . 0.0 110.332 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 6.7 t -79.02 83.82 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.5 1.125 . . . . 0.0 108.275 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -62.15 165.11 6.05 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . 0.465 ' O ' ' CB ' ' A' ' 525' ' ' CYS . 1.7 p -108.66 117.78 53.38 Favored Pre-proline 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.1 -162.4 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.514 1.797 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -173.28 -37.69 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -92.35 -23.96 25.41 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.608 1.192 . . . . 0.0 110.947 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.92 52.72 3.29 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.415 0.715 . . . . 0.0 111.041 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 1.9 t -171.48 -40.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 110.374 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . 0.438 ' O ' ' ND1' ' A' ' 523' ' ' HIS . . . -108.22 -41.93 1.46 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.517 ' CG ' ' O ' ' A' ' 523' ' ' HIS . 0.1 OUTLIER 76.82 111.68 0.07 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.596 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -179.39 84.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 516' ' ' CYS . 0.6 OUTLIER -49.78 104.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.329 179.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.55 1.156 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.24 -0.282 . . . . 0.0 110.24 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.733 ' HB2' HD23 ' A' ' 433' ' ' LEU . 10.7 t70 -139.47 149.77 44.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 109.383 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.543 HG12 ' OE2' ' A' ' 415' ' ' GLU . 2.7 p -124.89 160.68 29.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 417' ' ' SER . 19.7 t0 -83.5 77.93 9.74 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.776 ' HA ' HD12 ' A' ' 418' ' ' LEU . 1.5 mp0 -63.66 -7.79 8.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 0.0 110.331 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -88.88 -17.16 30.19 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 108.242 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.421 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 0.2 OUTLIER -104.88 -19.32 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.571 1.17 . . . . 0.0 110.013 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.776 HD12 ' HA ' ' A' ' 415' ' ' GLU . 0.7 OUTLIER -61.04 -81.0 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.316 1.01 . . . . 0.0 109.282 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -162.17 25.23 0.23 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.617 1.198 . . . . 0.0 111.004 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.414 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.31 92.34 3.55 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.547 0.792 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -112.35 104.09 55.78 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.545 ' CG ' ' CD ' ' A' ' 450' ' ' GLU . 18.4 Cg_endo -75.03 -43.01 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.524 1.802 . . . . 0.0 110.977 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.417 ' SG ' ' O ' ' A' ' 428' ' ' LYS . 4.8 m -42.31 -24.99 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.428 1.08 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.52 ' N ' ' C ' ' A' ' 422' ' ' PRO . 3.1 mt-10 69.67 -93.23 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.211 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.708 ' O ' ' HB2' ' A' ' 426' ' ' ALA . 0.1 OUTLIER -140.38 50.63 1.69 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.626 -179.88 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.776 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . 161.92 98.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.581 1.175 . . . . 0.0 109.241 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 152.6 175.83 24.55 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.483 1.114 . . . . 0.0 111.061 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.593 ' CE ' HD12 ' A' ' 430' ' ' ILE . 0.9 OUTLIER -103.54 136.48 43.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.544 0.791 . . . . 0.0 109.295 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.76 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.2 OUTLIER -112.85 109.77 19.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.5 1.125 . . . . 0.0 108.377 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.76 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -114.6 169.05 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.959 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.44 ' OD1' ' N ' ' A' ' 432' ' ' THR . 10.7 t30 -108.7 137.76 46.11 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.425 1.078 . . . . 0.0 109.27 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.495 HG23 ' HB3' ' A' ' 437' ' ' GLU . 0.1 OUTLIER -126.89 166.17 17.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.389 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.733 HD23 ' HB2' ' A' ' 412' ' ' ASP . 3.7 mt -73.17 123.21 23.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.538 1.149 . . . . 0.0 109.339 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 84.03 -46.0 3.58 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.489 1.118 . . . . 0.0 111.041 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' OG1' ' A' ' 432' ' ' THR . 9.5 m -133.2 174.2 10.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.389 0.699 . . . . 0.0 110.023 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.474 ' CE1' ' HG3' ' A' ' 422' ' ' PRO . 3.0 p90 -100.95 155.19 18.1 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 110.968 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.577 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -124.27 145.73 49.2 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 1.125 . . . . 0.0 110.204 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.52 ' SG ' ' CB ' ' A' ' 450' ' ' GLU . 0.4 OUTLIER -144.22 132.5 21.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.594 1.184 . . . . 0.0 108.311 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.468 ' HG3' HD11 ' A' ' 430' ' ' ILE . 46.7 mt-30 -78.59 149.21 33.02 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.523 1.14 . . . . 0.0 110.332 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -83.39 141.62 31.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 108.355 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 441' ' ' LEU . 0.4 OUTLIER -103.44 119.78 39.55 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.242 -179.895 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.43 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 5.1 mm-40 61.3 -101.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.304 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.62 72.44 0.39 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.449 1.093 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.776 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.4 m-85 -100.3 161.0 13.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.459 0.741 . . . . 0.0 111.033 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.922 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.2 t -102.09 -123.63 0.18 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.621 1.201 . . . . 0.0 110.381 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.875 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.69 158.14 20.96 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.581 1.175 . . . . 0.0 111.056 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -25.43 11.93 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.494 1.786 . . . . 0.0 110.991 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.523 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 28.0 mmm180 -114.61 -4.55 12.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.292 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.56 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.6 OUTLIER 90.34 58.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.539 1.15 . . . . 0.0 108.31 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.911 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -148.99 14.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.333 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.922 HG22 ' CG2' ' A' ' 445' ' ' THR . 1.4 mp -117.48 145.36 23.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.574 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -97.79 128.06 44.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 109.284 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.532 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -98.61 160.36 3.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.449 1.093 . . . . 0.0 109.381 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.955 ' O ' HG22 ' A' ' 457' ' ' VAL . 60.1 t-20 -100.66 91.19 4.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.522 1.139 . . . . 0.0 109.363 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 474' ' ' PHE . 13.1 mp0 -59.83 -9.54 3.0 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.263 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.454 ' SG ' ' O ' ' A' ' 456' ' ' CYS . 0.1 OUTLIER -83.26 6.98 17.71 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 0.0 108.331 179.955 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.955 HG22 ' O ' ' A' ' 454' ' ' ASN . 16.5 m -100.18 -25.91 3.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.503 1.127 . . . . 0.0 109.264 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.456 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 0.4 OUTLIER -117.05 4.01 12.75 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 1.111 . . . . 0.0 109.913 -179.851 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.625 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.4 OUTLIER -155.42 57.23 1.54 Allowed Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.556 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.2 Cg_endo -75.04 -0.35 9.88 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.55 1.816 . . . . 0.0 110.962 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.699 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 0.8 OUTLIER 72.97 20.78 3.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.509 1.13 . . . . 0.0 108.301 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.1 tt0 84.53 -149.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.21 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -112.02 32.19 5.68 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -139.09 36.67 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 109.301 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.699 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -169.33 135.31 1.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.589 1.181 . . . . 0.0 109.32 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.453 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 3.0 m -77.75 109.03 11.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 110.445 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -67.93 142.01 56.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.26 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . . . . . . . . . 64.0 mt -146.94 101.12 3.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.354 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 4.2 t0 -64.87 120.86 13.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.337 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.521 ' CB ' ' O ' ' A' ' 473' ' ' GLU . 0.2 OUTLIER -112.16 -168.68 1.35 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.432 1.082 . . . . 0.0 110.29 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.539 ' O ' ' CD1' ' A' ' 471' ' ' ILE . 0.6 OUTLIER -73.01 112.85 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 O-C-N 124.551 1.157 . . . . 0.0 109.35 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 47.97 22.71 2.22 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.488 1.117 . . . . 0.0 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.521 ' O ' ' CB ' ' A' ' 470' ' ' GLN . 3.9 pt-20 -168.16 154.28 7.29 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.45 0.735 . . . . 0.0 110.275 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.625 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 25.4 p90 -116.95 162.13 18.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 110.992 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -140.12 132.37 28.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.626 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -119.68 132.3 55.64 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.544 1.152 . . . . 0.0 108.268 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.429 HD13 ' HA ' ' A' ' 477' ' ' ILE . 15.6 mm -99.17 110.68 26.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.487 1.117 . . . . 0.0 109.369 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -113.95 -174.09 2.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 108.278 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 31.3 mtp -84.52 151.62 59.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.052 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 53.81 3.46 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.78 . . . . 0.0 110.97 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -143.97 -42.24 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.537 1.148 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -102.07 170.93 7.8 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.482 0.754 . . . . 0.0 110.95 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 489' ' ' VAL . 0.3 OUTLIER -155.08 -176.16 5.8 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.466 1.103 . . . . 0.0 110.335 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . 0.479 ' HA3' ' CG2' ' A' ' 489' ' ' VAL . . . 105.27 -175.97 22.28 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.411 1.069 . . . . 0.0 110.947 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.614 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -78.08 -19.03 13.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.483 0.754 . . . . 0.0 109.298 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.614 ' CD2' HG12 ' A' ' 485' ' ' VAL . 13.8 m-70 -105.74 2.78 28.24 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 124.501 1.125 . . . . 0.0 109.598 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 2.0 m 49.71 30.21 3.57 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.571 1.17 . . . . 0.0 108.351 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.416 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.0 OUTLIER -126.96 10.59 7.01 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.489 1.118 . . . . 0.0 110.323 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.761 HG11 ' CG ' ' A' ' 507' ' ' ASP . 9.9 t -89.33 112.86 24.91 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.43 1.081 . . . . 0.0 109.341 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.536 ' H ' HG23 ' A' ' 509' ' ' ILE . 6.3 p30 -67.75 91.47 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.367 1.042 . . . . 0.0 109.305 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.43 ' O ' ' O ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER 57.23 154.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 1.6 t0 -94.24 134.07 37.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.404 1.065 . . . . 0.0 109.299 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.42 25.64 6.52 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.441 1.088 . . . . 0.0 110.351 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.25 17.83 12.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 108.234 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.2 -18.82 60.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.52 -62.7 1.63 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.919 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.4 p -136.38 98.38 11.28 Favored Pre-proline 0 C--N 1.324 -0.524 0 O-C-N 124.551 1.157 . . . . 0.0 110.057 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.44 ' O ' ' C ' ' A' ' 499' ' ' CYS . 18.1 Cg_endo -74.91 -4.09 14.89 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.527 1.804 . . . . 0.0 111.041 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.444 ' O ' ' O ' ' A' ' 500' ' ' LEU . 22.5 m 38.49 59.77 1.44 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.58 1.175 . . . . 0.0 108.319 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.572 ' HG ' ' CD2' ' A' ' 501' ' ' HIS . 2.6 pt? -57.02 -158.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.264 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.572 ' CD2' ' HG ' ' A' ' 500' ' ' LEU . 97.7 m-70 67.92 -107.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.617 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -105.11 -21.19 13.31 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.418 ' C ' ' O ' ' A' ' 499' ' ' CYS . . . -68.46 154.48 53.22 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.472 1.107 . . . . 0.0 110.992 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.32 137.87 50.16 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 0.783 . . . . 0.0 110.29 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -94.37 130.85 40.54 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.46 1.1 . . . . 0.0 108.343 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.501 HD13 ' OE2' ' A' ' 515' ' ' GLU . 1.1 tp -108.07 131.46 54.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.473 1.108 . . . . 0.0 109.344 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.761 ' CG ' HG11 ' A' ' 489' ' ' VAL . 32.6 t0 -95.0 96.37 9.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.304 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 27.9 mttt -92.53 145.43 24.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.357 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.536 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.5 OUTLIER -74.63 57.31 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.56 1.162 . . . . 0.0 109.31 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 1.1 t30 176.64 -36.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -163.88 -163.42 0.79 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.223 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -124.31 145.33 49.48 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.936 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -124.71 123.09 39.26 Favored 'General case' 0 C--N 1.327 -0.412 0 O-C-N 124.527 1.142 . . . . 0.0 110.255 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.83 96.65 10.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 108.267 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.501 ' OE2' HD13 ' A' ' 506' ' ' LEU . 4.7 pt-20 -89.15 91.39 8.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 0.0 110.269 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -99.29 128.91 30.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 108.338 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.405 ' O ' ' HB ' ' A' ' 518' ' ' THR . 18.3 Cg_endo -75.04 -163.87 0.21 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 517' ' ' PRO . 5.9 t -176.26 50.9 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.466 1.103 . . . . 0.0 110.44 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -152.12 -56.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.582 1.176 . . . . 0.0 111.014 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . . . . . . . . . 56.5 m-85 -45.31 -58.88 2.98 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 0.758 . . . . 0.0 111.046 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.422 ' O ' ' N ' ' A' ' 523' ' ' HIS . 76.0 p -102.85 60.67 0.79 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.432 1.082 . . . . 0.0 110.397 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 38.47 -96.73 0.01 OUTLIER Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 110.976 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . 0.422 ' N ' ' O ' ' A' ' 521' ' ' THR . 0.3 OUTLIER -141.29 67.48 1.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 0.782 . . . . 0.0 109.668 179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 2.4 tp -133.34 93.99 3.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 44.7 t -148.72 143.32 26.36 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 108.286 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 110.285 179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.279 -0.267 . . . . 0.0 110.279 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.699 ' HB2' HD23 ' A' ' 433' ' ' LEU . 9.1 t0 -160.26 124.97 3.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.551 1.157 . . . . 0.0 109.262 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.711 ' CG2' HD11 ' A' ' 418' ' ' LEU . 3.1 p -104.32 157.76 5.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.456 1.098 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.413 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 60.5 t0 -90.71 76.43 6.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.772 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.3 mp0 -58.77 -15.11 10.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.335 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -81.19 -16.96 51.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.515 1.134 . . . . 0.0 108.324 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 4.8 t -108.36 -19.1 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.601 1.188 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.772 HD12 ' HA ' ' A' ' 415' ' ' GLU . 4.2 mt -69.85 -81.93 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 109.328 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -157.99 24.53 0.4 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.422 1.076 . . . . 0.0 110.978 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.579 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.83 77.09 1.57 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.446 0.733 . . . . 0.0 109.361 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.518 ' C ' ' ND2' ' A' ' 421' ' ' ASN . 0.3 OUTLIER -115.68 105.52 51.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 -179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.507 ' HB2' HD12 ' A' ' 451' ' ' ILE . 18.3 Cg_endo -74.97 -34.35 3.92 Favored 'Trans proline' 0 C--N 1.359 1.09 0 O-C-N 124.53 1.806 . . . . 0.0 111.038 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.544 ' O ' ' N ' ' A' ' 426' ' ' ALA . 83.4 m -60.47 -9.73 4.04 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.514 1.134 . . . . 0.0 108.304 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.542 ' CG ' ' O ' ' A' ' 423' ' ' CYS . 8.2 pt-20 49.0 40.67 17.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.43 1.081 . . . . 0.0 110.265 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.483 ' HB2' ' O ' ' A' ' 424' ' ' GLU . 13.2 m-70 77.65 -7.48 1.82 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.625 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.544 ' N ' ' O ' ' A' ' 423' ' ' CYS . . . -109.69 75.21 0.93 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.542 1.151 . . . . 0.0 109.334 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 154.13 -169.69 32.62 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.548 1.155 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.527 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -105.42 120.2 40.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.496 0.762 . . . . 0.0 109.304 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.712 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.1 OUTLIER -108.47 114.29 28.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.554 1.159 . . . . 0.0 108.411 179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.753 ' N ' HD13 ' A' ' 430' ' ' ILE . 0.0 OUTLIER -115.37 169.76 5.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.433 1.083 . . . . 0.0 109.35 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.478 ' OD1' ' N ' ' A' ' 432' ' ' THR . 16.5 t30 -108.57 138.61 44.6 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.118 . . . . 0.0 109.275 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.489 ' CB ' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -126.65 164.21 21.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.402 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.699 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.1 mt -71.86 122.86 21.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 0.0 109.317 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.42 -44.65 3.23 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.523 1.139 . . . . 0.0 111.038 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.489 ' O ' ' CB ' ' A' ' 432' ' ' THR . 8.2 m -133.1 169.36 16.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 0.751 . . . . 0.0 109.998 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.41 ' HB3' ' HB2' ' A' ' 415' ' ' GLU . 45.6 p90 -100.33 160.14 14.57 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.553 1.158 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.567 ' O ' ' N ' ' A' ' 430' ' ' ILE . 4.1 tt0 -128.98 141.83 51.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.425 1.078 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.494 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 8.4 t -142.27 126.17 17.18 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.553 1.158 . . . . 0.0 108.27 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.658 ' HG3' HD11 ' A' ' 430' ' ' ILE . 6.9 mt-30 -86.61 158.43 19.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 110.246 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.431 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.4 p -87.52 172.53 9.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.417 1.073 . . . . 0.0 108.308 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.613 HD23 ' NE2' ' A' ' 442' ' ' GLN . 0.0 OUTLIER -144.72 153.76 42.04 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.418 1.074 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.613 ' NE2' HD23 ' A' ' 441' ' ' LEU . 0.9 OUTLIER 47.21 -98.38 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.405 1.066 . . . . 0.0 110.269 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -139.13 68.68 0.49 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.417 1.073 . . . . 0.0 111.023 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.584 ' CZ ' ' HB2' ' A' ' 452' ' ' ASP . 3.0 m-85 -104.11 160.03 15.19 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 0.761 . . . . 0.0 111.011 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 1.001 HG23 HG22 ' A' ' 451' ' ' ILE . 0.9 OUTLIER -104.06 -114.66 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.853 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.73 158.59 22.23 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.491 1.12 . . . . 0.0 110.987 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . 0.438 ' HG2' ' CD ' ' A' ' 448' ' ' ARG . 18.2 Cg_endo -75.0 -27.75 9.74 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.471 1.774 . . . . 0.0 110.935 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.556 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 0.2 OUTLIER -112.07 -5.78 14.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.224 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.556 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 0.7 OUTLIER 91.88 60.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.112 . . . . 0.0 108.362 -179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.486 ' OE1' ' CB ' ' A' ' 422' ' ' PRO . 0.0 OUTLIER -156.9 21.49 0.32 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 110.37 179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 1.001 HG22 HG23 ' A' ' 445' ' ' THR . 1.1 mp -127.73 144.14 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.444 1.09 . . . . 0.0 109.331 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.584 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 2.6 t70 -89.52 137.29 32.45 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.483 1.114 . . . . 0.0 109.298 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.533 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.2 OUTLIER -101.11 162.05 3.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.411 1.069 . . . . 0.0 109.294 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 1.0 ' O ' HG22 ' A' ' 457' ' ' VAL . 63.4 t-20 -101.53 89.64 3.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.26 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.586 ' HB2' ' CD1' ' A' ' 474' ' ' PHE . 12.6 mp0 -60.85 -11.72 8.69 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -79.04 2.19 21.39 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.396 1.06 . . . . 0.0 108.223 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 1.0 HG22 ' O ' ' A' ' 454' ' ' ASN . 14.4 m -96.91 -25.56 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.117 . . . . 0.0 109.22 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.465 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 58.1 m -116.92 0.82 12.56 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.421 1.076 . . . . 0.0 109.992 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.626 ' HB2' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -156.31 58.7 1.77 Allowed Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.261 -179.9 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.523 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.4 Cg_endo -74.95 -3.83 14.5 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.528 1.804 . . . . 0.0 111.086 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.642 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.4 m 71.1 22.22 4.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 108.348 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.403 ' HB2' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 74.37 -169.99 0.11 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.583 1.177 . . . . 0.0 110.31 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . . . . . . . . . 6.4 p30 -92.31 39.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 109.302 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.28 27.46 1.74 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.642 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . -164.48 127.84 2.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.55 1.156 . . . . 0.0 109.233 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.5 m -69.69 109.2 4.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.338 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.92 131.98 45.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 108.386 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.422 HD23 ' HA ' ' A' ' 468' ' ' LEU . 28.2 mt -137.12 95.81 3.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.233 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . 0.403 ' OD2' ' C ' ' A' ' 469' ' ' ASP . 0.6 OUTLIER -64.39 125.86 25.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.431 1.082 . . . . 0.0 109.195 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -116.7 -168.04 1.39 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.618 1.198 . . . . 0.0 110.29 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.548 ' O ' HD12 ' A' ' 471' ' ' ILE . 0.6 OUTLIER -72.98 118.83 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.258 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . . . . . . . . . . . 43.0 24.35 0.27 Allowed Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.97 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.456 ' O ' ' N ' ' A' ' 470' ' ' GLN . 0.0 OUTLIER -169.88 153.93 5.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.757 . . . . 0.0 110.2 -179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.626 ' CZ ' ' HB2' ' A' ' 459' ' ' ASN . 18.9 p90 -120.68 162.5 19.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 0.0 110.939 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.542 HE21 HD11 ' A' ' 477' ' ' ILE . 0.2 OUTLIER -142.25 133.42 26.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 179.941 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.551 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 0.8 OUTLIER -121.7 126.7 49.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 108.33 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.542 HD11 HE21 ' A' ' 475' ' ' GLN . 12.8 mm -83.19 148.33 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.435 1.085 . . . . 0.0 109.373 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . 0.405 ' SG ' ' O ' ' A' ' 482' ' ' TYR . 40.9 t -102.98 145.26 30.14 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 108.291 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -86.85 152.57 53.99 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 63.39 5.97 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.495 1.787 . . . . 0.0 110.997 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -161.39 -41.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.508 1.13 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.405 ' O ' ' SG ' ' A' ' 478' ' ' CYS . 20.0 m-85 -120.31 171.36 8.57 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.57 0.806 . . . . 0.0 110.979 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.619 ' O ' HG22 ' A' ' 489' ' ' VAL . 0.2 OUTLIER -149.1 -178.25 6.28 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.488 1.118 . . . . 0.0 110.336 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 113.08 -163.22 12.16 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.493 1.12 . . . . 0.0 111.026 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.541 HG12 ' CD2' ' A' ' 486' ' ' HIS . 0.5 OUTLIER -79.3 -35.66 17.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.454 0.738 . . . . 0.0 109.287 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.541 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -107.54 6.31 27.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.557 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 38.9 t 45.11 39.01 3.56 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.455 1.097 . . . . 0.0 108.283 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 509' ' ' ILE . 0.0 OUTLIER -112.18 -0.42 15.55 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.605 1.19 . . . . 0.0 110.312 -179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.619 HG22 ' O ' ' A' ' 483' ' ' GLU . 0.8 OUTLIER -88.9 122.45 40.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.353 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.77 ' O ' HG22 ' A' ' 491' ' ' THR . 5.9 p30 -77.56 92.55 4.07 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.547 1.155 . . . . 0.0 109.271 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.77 HG22 ' O ' ' A' ' 490' ' ' ASN . 12.6 t 51.0 169.94 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.121 . . . . 0.0 110.359 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -93.21 161.95 14.21 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.424 1.078 . . . . 0.0 109.33 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.425 ' O ' ' CD1' ' A' ' 512' ' ' PHE . 1.6 pm0 -144.83 26.63 1.37 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -105.3 25.74 10.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -71.12 -29.31 65.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.279 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -73.54 -67.38 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.555 1.159 . . . . 0.0 110.069 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -125.95 90.32 50.56 Favored Pre-proline 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.997 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -14.28 21.19 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.481 1.78 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 503' ' ' GLY . 0.0 OUTLIER 41.77 56.71 3.32 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.456 1.097 . . . . 0.0 108.309 179.918 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.42 ' O ' ' HB2' ' A' ' 501' ' ' HIS . 6.4 tp -81.16 163.51 23.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.42 ' HB2' ' O ' ' A' ' 500' ' ' LEU . 3.3 m170 69.27 -58.18 0.51 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 109.573 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' A' ' 500' ' ' LEU . 2.9 m-20 -81.47 4.58 20.59 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.416 ' O ' ' O ' ' A' ' 499' ' ' CYS . . . 160.31 -177.76 36.62 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.409 ' O ' ' N ' ' A' ' 515' ' ' GLU . 0.5 OUTLIER -129.96 139.56 51.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.762 . . . . 0.0 110.315 179.944 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 25.8 p -81.57 125.94 31.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.596 1.185 . . . . 0.0 108.243 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.416 ' N ' ' O ' ' A' ' 513' ' ' GLN . 1.4 mp -92.54 132.1 37.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 109.372 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.578 ' CG ' HG21 ' A' ' 489' ' ' VAL . 0.7 OUTLIER -80.63 96.74 6.96 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.553 1.158 . . . . 0.0 109.253 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . . . . . . . . . 3.1 mmmt -106.24 147.15 29.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.481 1.113 . . . . 0.0 109.267 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 488' ' ' GLU . 2.6 pt -76.25 60.95 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 176.38 -49.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -153.63 -159.19 0.95 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.5 1.125 . . . . 0.0 110.277 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 493' ' ' GLU . 6.3 p90 -127.05 132.68 50.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.997 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 506' ' ' LEU . 0.0 OUTLIER -110.02 114.9 28.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.265 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 74.4 m -81.95 95.45 7.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.626 1.204 . . . . 0.0 108.282 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.409 ' N ' ' O ' ' A' ' 504' ' ' ARG . 2.8 pt-20 -71.76 -179.42 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 110.335 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -97.61 141.48 23.06 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 108.246 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.441 ' HB2' ' CD1' ' A' ' 520' ' ' PHE . 18.5 Cg_endo -75.01 105.36 2.07 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.441 1.758 . . . . 0.0 111.0 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.665 ' OG1' HD23 ' A' ' 524' ' ' LEU . 9.8 t -127.35 7.18 6.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.371 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -116.3 0.25 20.66 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.543 1.152 . . . . 0.0 111.007 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.485 ' O ' ' CD2' ' A' ' 520' ' ' PHE . 7.6 p90 -87.24 15.67 6.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.514 0.773 . . . . 0.0 110.918 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . . . . . . . . . 35.1 p 48.2 -173.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.516 1.135 . . . . 0.0 110.35 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 53.25 80.51 0.07 OUTLIER Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.616 1.197 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 64.67 115.24 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.497 0.763 . . . . 0.0 109.574 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.665 HD23 ' OG1' ' A' ' 518' ' ' THR . 6.4 mp -86.23 167.58 14.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.565 1.165 . . . . 0.0 109.299 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -88.08 -58.81 2.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.506 1.129 . . . . 0.0 108.274 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.62 1.2 . . . . 0.0 110.227 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 3.3 pm0 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.415 ' HB2' HD23 ' A' ' 433' ' ' LEU . 19.4 t70 -155.72 179.25 9.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.564 1.165 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -84.99 149.64 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.521 1.138 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.42 ' CG ' ' HB2' ' A' ' 431' ' ' ASN . 26.7 t0 -91.93 77.45 5.44 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 109.312 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.771 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.6 mp0 -55.35 -18.69 7.04 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.533 1.145 . . . . 0.0 110.232 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.409 ' SG ' ' C ' ' A' ' 429' ' ' CYS . 0.5 OUTLIER -81.27 -19.07 43.83 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 124.545 1.153 . . . . 0.0 108.345 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . . . . . . . . . 5.1 t -99.18 -20.03 16.84 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.133 . . . . 0.0 110.012 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.771 HD12 ' HA ' ' A' ' 415' ' ' GLU . 2.6 mt -73.6 -79.44 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.276 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -165.76 26.88 0.18 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.58 1.175 . . . . 0.0 111.074 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.425 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -126.29 78.51 1.78 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.476 0.75 . . . . 0.0 109.331 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -120.88 106.24 39.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.608 1.193 . . . . 0.0 109.289 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.446 ' C ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.96 -28.39 9.27 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.799 . . . . 0.0 110.978 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.479 ' O ' ' HB2' ' A' ' 424' ' ' GLU . 50.6 m -50.17 -19.31 0.74 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 108.311 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.479 ' HB2' ' O ' ' A' ' 423' ' ' CYS . 3.5 mm-40 72.24 -80.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . 0.462 ' CD2' ' HB3' ' A' ' 424' ' ' GLU . 1.0 OUTLIER -139.75 -44.2 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.579 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.532 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -101.43 98.96 9.24 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.229 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . . . . . . . . . . . 165.08 163.63 18.73 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.431 1.082 . . . . 0.0 111.004 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 439' ' ' GLN . 0.3 OUTLIER -99.95 128.59 46.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 0.738 . . . . 0.0 109.323 -179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.822 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -112.37 119.71 39.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 108.313 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.822 HD13 ' C ' ' A' ' 429' ' ' CYS . 0.0 OUTLIER -121.71 169.93 12.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.561 1.163 . . . . 0.0 109.264 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.487 ' OD1' ' N ' ' A' ' 432' ' ' THR . 18.1 t30 -107.55 135.62 48.7 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.487 ' N ' ' OD1' ' A' ' 431' ' ' ASN . 0.0 OUTLIER -126.83 165.15 19.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.415 HD23 ' HB2' ' A' ' 412' ' ' ASP . 5.6 mt -72.61 122.74 21.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 109.334 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . . . . . . . . . . . 82.25 -44.29 3.15 Favored Glycine 0 CA--C 1.531 1.073 0 O-C-N 124.493 1.12 . . . . 0.0 111.034 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.46 ' O ' ' CB ' ' A' ' 432' ' ' THR . 23.1 t -132.84 169.81 16.2 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.633 0.843 . . . . 0.0 110.019 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . 0.412 ' HA ' ' OG1' ' A' ' 432' ' ' THR . 28.8 p90 -104.74 144.55 31.59 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.467 1.105 . . . . 0.0 111.051 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.443 ' N ' ' OG1' ' A' ' 432' ' ' THR . 5.2 tt0 -107.04 144.11 34.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.479 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 16.6 t -143.65 124.83 14.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.103 . . . . 0.0 108.24 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.555 ' HG3' HD11 ' A' ' 430' ' ' ILE . 23.9 mt-30 -82.3 155.87 24.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.561 1.163 . . . . 0.0 110.348 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.452 ' N ' ' O ' ' A' ' 449' ' ' CYS . 1.3 p -86.57 156.99 19.83 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 0.0 108.35 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.419 ' HA ' HD22 ' A' ' 441' ' ' LEU . 0.4 OUTLIER -113.93 136.42 52.91 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.413 ' NE2' ' HA ' ' A' ' 442' ' ' GLN . 8.0 mm-40 44.16 -101.33 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.437 1.086 . . . . 0.0 110.248 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -122.46 70.76 0.42 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.494 1.121 . . . . 0.0 111.072 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.583 ' CE2' ' HB2' ' A' ' 452' ' ' ASP . 1.5 m-85 -100.27 160.81 14.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 0.758 . . . . 0.0 110.968 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.883 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.9 t -102.62 -124.4 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 110.413 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.871 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 79.23 157.39 11.8 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.496 1.123 . . . . 0.0 111.047 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 -25.1 12.09 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.522 1.801 . . . . 0.0 111.005 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.5 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 25.4 mmt-85 -110.33 -5.81 15.14 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.587 1.18 . . . . 0.0 110.352 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.54 ' HA ' ' O ' ' A' ' 445' ' ' THR . 0.4 OUTLIER 88.08 55.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 108.28 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.751 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -144.93 6.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.883 HG22 ' CG2' ' A' ' 445' ' ' THR . 0.7 OUTLIER -107.12 147.01 12.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.243 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.583 ' HB2' ' CE2' ' A' ' 444' ' ' TYR . 25.7 t0 -100.8 125.7 47.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.584 1.177 . . . . 0.0 109.277 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.535 HG22 ' N ' ' A' ' 454' ' ' ASN . 1.6 p -97.98 167.98 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 1.02 ' O ' HG22 ' A' ' 457' ' ' VAL . 40.9 t-20 -101.05 90.5 4.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.265 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.51 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 2.0 pm0 -64.43 -5.32 5.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.519 1.137 . . . . 0.0 110.261 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . 0.478 ' HB2' ' CB ' ' A' ' 469' ' ' ASP . 20.6 t -88.62 11.36 17.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 108.3 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 1.02 HG22 ' O ' ' A' ' 454' ' ' ASN . 13.0 m -109.81 -22.78 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 109.318 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . . . . . . . . . 6.6 p -115.56 -7.46 12.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.608 1.192 . . . . 0.0 110.012 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.573 ' HB3' ' CZ ' ' A' ' 474' ' ' PHE . 0.3 OUTLIER -140.3 59.28 12.09 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.502 1.126 . . . . 0.0 109.26 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.524 ' HA ' ' SG ' ' A' ' 467' ' ' CYS . 18.4 Cg_endo -75.04 -2.73 12.93 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.529 1.805 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.72 ' HB3' ' HB3' ' A' ' 465' ' ' ALA . 1.8 t 75.02 20.11 2.22 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 108.304 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.474 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 1.8 tt0 84.34 -141.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.453 ' ND2' ' OE1' ' A' ' 462' ' ' GLN . 8.8 p30 -116.9 -1.62 11.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.477 ' O ' ' HB2' ' A' ' 465' ' ' ALA . 73.7 m-20 -116.6 54.12 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.438 1.087 . . . . 0.0 109.26 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.72 ' HB3' ' HB3' ' A' ' 461' ' ' CYS . . . 176.25 120.34 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.581 1.176 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.513 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 0.9 OUTLIER -66.89 106.72 1.98 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.424 179.964 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . 0.524 ' SG ' ' HA ' ' A' ' 460' ' ' PRO . 49.8 t -63.64 163.04 12.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 108.267 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.512 ' HA ' HD23 ' A' ' 468' ' ' LEU . 1.4 mt -170.09 90.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.582 1.177 . . . . 0.0 109.326 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . 0.478 ' CB ' ' HB2' ' A' ' 456' ' ' CYS . 0.0 OUTLIER -75.71 151.54 37.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.525 1.141 . . . . 0.0 109.303 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.535 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -152.72 -162.61 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.434 1.083 . . . . 0.0 110.355 179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.599 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.5 OUTLIER -53.45 118.87 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.412 1.07 . . . . 0.0 109.283 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.54 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 25.1 41.76 0.01 OUTLIER Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.447 1.092 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.599 ' N ' ' O ' ' A' ' 471' ' ' ILE . 4.3 pt-20 -169.01 155.02 6.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.405 0.709 . . . . 0.0 110.355 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.573 ' CZ ' ' HB3' ' A' ' 459' ' ' ASN . 5.9 p90 -135.72 139.75 43.87 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 1.122 . . . . 0.0 111.012 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.474 ' O ' ' N ' ' A' ' 468' ' ' LEU . 8.8 pt20 -121.93 144.01 49.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.379 1.05 . . . . 0.0 110.397 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.513 ' HA ' ' O ' ' A' ' 466' ' ' THR . 13.7 p -127.06 137.55 53.05 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.62 1.2 . . . . 0.0 108.295 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.466 HD13 ' HA ' ' A' ' 477' ' ' ILE . 10.8 mm -103.21 115.55 45.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -111.47 -176.14 2.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 1.15 . . . . 0.0 108.298 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 2.7 mmt -84.64 152.35 59.97 Favored Pre-proline 0 C--N 1.324 -0.542 0 O-C-N 124.567 1.167 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 55.1 3.88 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.449 1.762 . . . . 0.0 110.95 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -149.12 -42.67 0.03 OUTLIER Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.475 1.11 . . . . 0.0 110.964 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.541 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 58.0 m-85 -109.47 170.48 8.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.43 0.724 . . . . 0.0 110.951 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . 0.434 ' O ' HG22 ' A' ' 489' ' ' VAL . 2.4 tt0 -154.25 -179.95 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 110.353 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 122.03 -177.8 16.43 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.536 1.148 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.473 HG12 ' CD2' ' A' ' 486' ' ' HIS . 1.2 t -68.71 -34.56 65.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.452 0.737 . . . . 0.0 109.277 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.473 ' CD2' HG12 ' A' ' 485' ' ' VAL . 0.0 OUTLIER -108.05 -1.56 20.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 109.657 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . 0.505 ' SG ' ' SG ' ' A' ' 461' ' ' CYS . 57.5 m 60.39 28.29 17.92 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.464 1.102 . . . . 0.0 108.222 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.409 ' HB3' ' NE2' ' A' ' 462' ' ' GLN . 0.1 OUTLIER -103.86 3.33 33.69 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.43 1.081 . . . . 0.0 110.303 -179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 483' ' ' GLU . 2.0 m -107.88 128.64 63.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 109.347 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.719 ' H ' HG23 ' A' ' 509' ' ' ILE . 24.6 t-20 -67.71 144.57 55.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.576 1.172 . . . . 0.0 109.24 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . . . . . . . . . 8.8 t -51.7 178.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.379 1.049 . . . . 0.0 110.373 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -76.34 174.69 9.9 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.411 1.07 . . . . 0.0 109.194 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -150.35 43.32 0.85 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.286 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . 0.606 ' SG ' ' CD1' ' A' ' 512' ' ' PHE . 0.5 OUTLIER -140.91 46.11 1.77 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 108.323 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . . . . . . . . . . . -74.58 -14.85 60.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.435 1.084 . . . . 0.0 109.263 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.26 -58.58 1.9 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.611 1.195 . . . . 0.0 109.871 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . 0.401 ' O ' ' SG ' ' A' ' 505' ' ' CYS . 53.4 m -101.26 111.35 63.48 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.539 1.15 . . . . 0.0 109.949 -179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . 0.455 ' HB2' HD22 ' A' ' 500' ' ' LEU . 18.4 Cg_endo -75.02 -25.83 11.45 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.544 1.813 . . . . 0.0 111.07 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.43 ' O ' ' O ' ' A' ' 498' ' ' PRO . 52.5 t 46.66 93.88 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.509 1.131 . . . . 0.0 108.33 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.455 HD22 ' HB2' ' A' ' 498' ' ' PRO . 1.0 OUTLIER -145.37 27.35 1.26 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.502 1.127 . . . . 0.0 109.293 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -131.96 -46.05 0.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.417 1.073 . . . . 0.0 109.619 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -99.69 -19.66 16.67 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.565 1.165 . . . . 0.0 109.371 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.431 ' HA2' ' HD3' ' A' ' 517' ' ' PRO . . . -176.91 -179.5 47.34 Favored Glycine 0 CA--C 1.532 1.103 0 O-C-N 124.411 1.069 . . . . 0.0 110.985 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . . . . . . . . . 6.0 tpt180 -113.44 118.74 35.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.589 0.817 . . . . 0.0 110.228 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . 0.401 ' SG ' ' O ' ' A' ' 497' ' ' SER . 1.2 m -59.72 106.11 0.45 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 108.228 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.718 HD23 ' HG3' ' A' ' 515' ' ' GLU . 0.2 OUTLIER -98.44 131.99 44.25 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.476 1.11 . . . . 0.0 109.31 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -77.26 94.18 4.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.408 ' O ' ' N ' ' A' ' 510' ' ' ASN . 0.3 OUTLIER -93.87 132.66 38.07 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 0.0 109.336 179.947 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.719 HG23 ' H ' ' A' ' 490' ' ' ASN . 0.8 OUTLIER -69.8 64.0 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.408 ' N ' ' O ' ' A' ' 508' ' ' LYS . 0.2 OUTLIER 167.85 -44.12 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.23 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 51.5 mt-10 -151.64 -172.13 4.13 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.56 1.163 . . . . 0.0 110.362 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.606 ' CD1' ' SG ' ' A' ' 494' ' ' CYS . 0.1 OUTLIER -117.54 122.05 42.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 111.027 179.941 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 3.5 tm0? -105.96 161.29 14.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.312 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 1.2 m -122.38 86.26 2.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.159 . . . . 0.0 108.38 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.718 ' HG3' HD23 ' A' ' 506' ' ' LEU . 4.5 mm-40 -61.27 -139.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -96.16 137.05 21.72 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 108.335 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.431 ' HD3' ' HA2' ' A' ' 503' ' ' GLY . 18.2 Cg_endo -75.05 -173.83 1.72 Allowed 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.518 1.799 . . . . 0.0 110.979 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 518' ' ' THR . 12.8 t -160.84 51.79 0.28 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.363 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -151.35 -48.14 0.02 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.483 1.114 . . . . 0.0 111.034 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.572 ' CE2' ' HB ' ' A' ' 521' ' ' THR . 53.8 p90 -38.04 -40.8 0.51 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.498 0.763 . . . . 0.0 111.03 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.572 ' HB ' ' CE2' ' A' ' 520' ' ' PHE . 9.9 t -92.41 -39.45 11.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 110.46 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . 129.05 64.35 0.11 Allowed Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.472 1.108 . . . . 0.0 111.078 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER 55.05 85.7 0.06 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 0.766 . . . . 0.0 109.668 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -165.8 82.18 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 1.145 . . . . 0.0 109.367 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . 0.418 ' CB ' ' O ' ' A' ' 517' ' ' PRO . 29.0 t -175.95 54.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.138 . . . . 0.0 108.3 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 19.4 mm-40 . . . . . 0 C--N 1.323 -0.546 0 O-C-N 124.578 1.174 . . . . 0.0 110.267 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 411' ' ' GLN . . . . . . . . . . . . . 70.2 mt-30 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 412' ' ' ASP . . . . . 0.581 ' HB2' HD23 ' A' ' 433' ' ' LEU . 4.8 t70 -136.0 163.79 29.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.278 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 413' ' ' VAL . . . . . 0.656 HG22 HD11 ' A' ' 418' ' ' LEU . 2.4 p -112.25 152.78 14.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 O-C-N 124.443 1.089 . . . . 0.0 109.324 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 414' ' ' ASP . . . . . 0.475 ' OD2' ' N ' ' A' ' 417' ' ' SER . 52.9 t0 -89.53 76.31 7.42 Favored 'General case' 0 C--N 1.327 -0.392 0 O-C-N 124.396 1.06 . . . . 0.0 109.267 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 415' ' ' GLU . . . . . 0.673 ' HA ' HD12 ' A' ' 418' ' ' LEU . 2.1 mp0 -55.98 -19.24 11.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 110.302 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 416' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 420' ' ' ALA . 0.0 OUTLIER -79.0 -19.77 50.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 108.371 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 417' ' ' SER . . . . . 0.475 ' N ' ' OD2' ' A' ' 414' ' ' ASP . 44.5 t -99.05 -25.67 14.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 418' ' ' LEU . . . . . 0.673 HD12 ' HA ' ' A' ' 415' ' ' GLU . 1.8 mt -67.34 -78.56 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.234 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 419' ' ' GLY . . . . . . . . . . . . . . . -164.95 31.69 0.24 Allowed Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.539 1.15 . . . . 0.0 111.064 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 420' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 415' ' ' GLU . . . -124.73 75.77 1.45 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.569 0.805 . . . . 0.0 109.241 -179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 421' ' ' ASN . . . . . 0.4 ' OD1' ' SG ' ' A' ' 429' ' ' CYS . 4.1 t30 -116.52 107.33 47.03 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.551 1.157 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 422' ' ' PRO . . . . . 0.609 ' O ' ' N ' ' A' ' 424' ' ' GLU . 18.4 Cg_endo -74.97 -36.48 2.55 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.479 1.778 . . . . 0.0 110.964 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 423' ' ' CYS . . . . . 0.638 ' O ' ' C ' ' A' ' 424' ' ' GLU . 85.2 m -65.41 56.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 424' ' ' GLU . . . . . 0.638 ' C ' ' O ' ' A' ' 423' ' ' CYS . 25.0 mt-10 16.36 -96.49 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 110.34 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 425' ' ' HIS . . . . . . . . . . . . . 1.5 p80 -135.68 11.36 3.43 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.567 1.167 . . . . 0.0 109.593 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 426' ' ' ALA . . . . . 0.953 ' HB3' ' OH ' ' A' ' 444' ' ' TYR . . . -139.44 105.02 5.1 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.56 1.163 . . . . 0.0 109.361 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 427' ' ' GLY . . . . . 0.864 ' HA2' HD23 ' A' ' 441' ' ' LEU . . . 155.64 -175.97 33.33 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.523 1.139 . . . . 0.0 111.002 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 428' ' ' LYS . . . . . 0.505 ' O ' ' HA ' ' A' ' 438' ' ' CYS . 0.0 OUTLIER -109.9 121.95 46.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 0.727 . . . . 0.0 109.322 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 429' ' ' CYS . . . . . 0.679 ' C ' HD13 ' A' ' 430' ' ' ILE . 0.3 OUTLIER -109.46 109.5 20.35 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 108.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 430' ' ' ILE . . . . . 0.854 HD11 ' HG3' ' A' ' 439' ' ' GLN . 0.0 OUTLIER -110.67 169.16 3.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 431' ' ' ASN . . . . . 0.444 ' HB2' ' CG ' ' A' ' 414' ' ' ASP . 18.8 t30 -108.83 139.88 43.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 432' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 435' ' ' SER . 0.0 OUTLIER -127.72 170.49 12.66 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.519 1.137 . . . . 0.0 110.449 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 433' ' ' LEU . . . . . 0.581 HD23 ' HB2' ' A' ' 412' ' ' ASP . 4.8 mt -76.28 122.38 24.31 Favored 'General case' 0 C--N 1.327 -0.403 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 434' ' ' GLY . . . . . 0.471 ' N ' ' OD1' ' A' ' 412' ' ' ASP . . . 83.2 -44.87 3.35 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.481 1.113 . . . . 0.0 110.921 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 435' ' ' SER . . . . . 0.428 ' O ' ' OG1' ' A' ' 432' ' ' THR . 7.2 m -132.49 172.51 12.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.564 0.802 . . . . 0.0 109.976 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 436' ' ' PHE . . . . . . . . . . . . . 47.3 p90 -103.6 155.4 18.58 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.523 1.14 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 437' ' ' GLU . . . . . 0.546 ' O ' ' N ' ' A' ' 430' ' ' ILE . 5.9 tt0 -122.02 146.75 46.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.099 . . . . 0.0 110.268 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 438' ' ' CYS . . . . . 0.505 ' HA ' ' O ' ' A' ' 428' ' ' LYS . 47.9 t -142.01 124.55 15.8 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.498 1.124 . . . . 0.0 108.309 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 439' ' ' GLN . . . . . 0.854 ' HG3' HD11 ' A' ' 430' ' ' ILE . 10.5 mt-30 -81.94 159.94 23.49 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.306 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 440' ' ' CYS . . . . . 0.455 ' SG ' ' C ' ' A' ' 449' ' ' CYS . 7.2 m -82.0 157.77 24.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.133 . . . . 0.0 108.35 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 441' ' ' LEU . . . . . 0.864 HD23 ' HA2' ' A' ' 427' ' ' GLY . 0.3 OUTLIER -111.63 96.83 6.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 442' ' ' GLN . . . . . 0.628 ' NE2' HD13 ' A' ' 441' ' ' LEU . 0.3 OUTLIER 69.21 -92.58 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.581 1.176 . . . . 0.0 110.227 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 443' ' ' GLY . . . . . . . . . . . . . . . -123.71 71.21 0.43 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.474 1.109 . . . . 0.0 111.056 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 444' ' ' TYR . . . . . 0.953 ' OH ' ' HB3' ' A' ' 426' ' ' ALA . 1.7 m-85 -103.87 160.97 14.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.607 0.828 . . . . 0.0 110.983 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 445' ' ' THR . . . . . 0.921 ' CG2' HG22 ' A' ' 451' ' ' ILE . 2.3 t -102.97 -121.53 0.19 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.571 1.169 . . . . 0.0 110.436 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 446' ' ' GLY . . . . . 0.861 ' CA ' ' HB ' ' A' ' 451' ' ' ILE . . . 81.65 156.89 17.63 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.122 . . . . 0.0 111.044 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 447' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -27.27 10.2 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.579 1.831 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 448' ' ' ARG . . . . . 0.593 ' O ' ' CB ' ' A' ' 449' ' ' CYS . 14.0 mmt180 -110.63 -9.72 14.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.422 1.076 . . . . 0.0 110.289 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 449' ' ' CYS . . . . . 0.593 ' CB ' ' O ' ' A' ' 448' ' ' ARG . 5.1 t 95.48 62.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 108.309 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 450' ' ' GLU . . . . . 0.966 ' C ' HD12 ' A' ' 451' ' ' ILE . 0.0 OUTLIER -157.37 22.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.382 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 451' ' ' ILE . . . . . 0.966 HD12 ' C ' ' A' ' 450' ' ' GLU . 1.6 mp -124.01 145.33 31.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.428 1.08 . . . . 0.0 109.271 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 452' ' ' ASP . . . . . 0.496 ' HB2' ' CZ ' ' A' ' 444' ' ' TYR . 0.0 OUTLIER -96.42 123.84 40.21 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.26 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 453' ' ' VAL . . . . . 0.501 ' CG1' ' HB ' ' A' ' 445' ' ' THR . 0.4 OUTLIER -98.87 160.2 3.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.122 . . . . 0.0 109.261 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 454' ' ' ASN . . . . . 0.805 ' O ' HG22 ' A' ' 457' ' ' VAL . 57.9 t-20 -97.45 89.65 4.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.337 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 455' ' ' GLU . . . . . 0.537 ' CG ' ' HB3' ' A' ' 474' ' ' PHE . 0.8 OUTLIER -59.47 -14.84 14.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.614 1.196 . . . . 0.0 110.397 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 456' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -75.68 -2.17 28.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.525 1.14 . . . . 0.0 108.343 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 457' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 454' ' ' ASN . 31.2 m -75.62 -26.31 18.09 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 458' ' ' SER . . . . . 0.436 ' C ' ' ND2' ' A' ' 459' ' ' ASN . 67.1 m -119.66 -0.54 10.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.031 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 459' ' ' ASN . . . . . 0.607 ' O ' ' CZ ' ' A' ' 474' ' ' PHE . 0.1 OUTLIER -150.95 58.33 2.84 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 460' ' ' PRO . . . . . 0.541 ' HD3' ' N ' ' A' ' 459' ' ' ASN . 18.1 Cg_endo -75.04 -3.31 13.73 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.597 1.841 . . . . 0.0 110.999 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 461' ' ' CYS . . . . . 0.498 ' HB2' ' O ' ' A' ' 460' ' ' PRO . 7.3 m 70.98 20.21 5.39 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.553 1.158 . . . . 0.0 108.301 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 462' ' ' GLN . . . . . 0.452 ' CB ' ' O ' ' A' ' 461' ' ' CYS . 0.0 OUTLIER 82.85 -155.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 110.294 -179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 463' ' ' ASN . . . . . 0.474 HD22 ' N ' ' A' ' 464' ' ' ASP . 0.1 OUTLIER -102.75 -27.0 12.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.272 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 464' ' ' ASP . . . . . 0.474 ' N ' HD22 ' A' ' 463' ' ' ASN . 0.2 OUTLIER -67.44 -9.99 47.12 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.514 1.134 . . . . 0.0 109.352 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 465' ' ' ALA . . . . . 0.898 ' HB1' ' HB2' ' A' ' 476' ' ' CYS . . . -123.18 124.49 43.16 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.547 1.155 . . . . 0.0 109.272 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 466' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 476' ' ' CYS . 1.3 m -73.57 109.71 7.3 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.447 1.092 . . . . 0.0 110.404 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 467' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.58 148.88 40.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 108.305 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 468' ' ' LEU . . . . . 0.482 HD23 ' HA ' ' A' ' 468' ' ' LEU . 7.0 mt -154.73 79.53 1.08 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 469' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -65.01 145.61 56.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 470' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' A' ' 473' ' ' GLU . 0.0 OUTLIER -150.94 -165.44 2.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 471' ' ' ILE . . . . . 0.579 ' O ' ' N ' ' A' ' 473' ' ' GLU . 0.6 OUTLIER -52.52 115.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 472' ' ' GLY . . . . . 0.528 ' C ' ' O ' ' A' ' 471' ' ' ILE . . . 26.39 40.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.483 1.115 . . . . 0.0 110.996 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 473' ' ' GLU . . . . . 0.579 ' N ' ' O ' ' A' ' 471' ' ' ILE . 0.1 OUTLIER -170.54 154.41 4.59 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.47 0.747 . . . . 0.0 110.325 -179.934 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 474' ' ' PHE . . . . . 0.607 ' CZ ' ' O ' ' A' ' 459' ' ' ASN . 0.1 OUTLIER -138.39 159.59 41.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 111.015 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 475' ' ' GLN . . . . . 0.516 ' N ' ' CD1' ' A' ' 474' ' ' PHE . 9.5 pt20 -136.51 151.84 49.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.303 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 476' ' ' CYS . . . . . 0.898 ' HB2' ' HB1' ' A' ' 465' ' ' ALA . 1.7 p -130.18 113.36 14.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 108.31 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 477' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 478' ' ' CYS . 5.7 mt -67.76 162.55 3.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.427 1.079 . . . . 0.0 109.339 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 478' ' ' CYS . . . . . 0.464 ' N ' ' CG2' ' A' ' 477' ' ' ILE . 1.9 t -120.72 151.35 39.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 108.333 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 479' ' ' MET . . . . . . . . . . . . . 4.1 mmt -99.63 150.27 36.65 Favored Pre-proline 0 C--N 1.324 -0.533 0 O-C-N 124.455 1.097 . . . . 0.0 110.984 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 480' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 68.66 5.72 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 481' ' ' GLY . . . . . . . . . . . . . . . -167.54 -41.05 0.02 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.542 1.152 . . . . 0.0 111.036 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 482' ' ' TYR . . . . . 0.433 ' CD2' ' HA ' ' A' ' 490' ' ' ASN . 40.1 m-85 -129.2 170.38 13.63 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.5 0.765 . . . . 0.0 111.028 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 483' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -145.34 -179.85 6.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 110.287 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 484' ' ' GLY . . . . . . . . . . . . . . . 121.71 -174.87 16.14 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.579 1.174 . . . . 0.0 111.038 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 485' ' ' VAL . . . . . 0.766 HG13 ' CD2' ' A' ' 486' ' ' HIS . 0.4 OUTLIER -70.0 -32.02 49.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.532 0.784 . . . . 0.0 109.253 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 486' ' ' HIS . . . . . 0.766 ' CD2' HG13 ' A' ' 485' ' ' VAL . 14.4 m170 -108.23 -9.18 15.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.421 1.076 . . . . 0.0 109.71 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 487' ' ' CYS . . . . . . . . . . . . . 84.4 m 65.24 36.58 6.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.391 1.057 . . . . 0.0 108.315 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 488' ' ' GLU . . . . . 0.404 ' OE1' ' OE1' ' A' ' 462' ' ' GLN . 5.7 tp10 -112.64 -3.83 14.23 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 110.312 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 489' ' ' VAL . . . . . . . . . . . . . 1.8 m -96.62 125.0 49.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.092 . . . . 0.0 109.298 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 490' ' ' ASN . . . . . 0.67 ' H ' ' ND2' ' A' ' 490' ' ' ASN . 0.0 OUTLIER -62.67 147.13 50.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 109.255 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 491' ' ' THR . . . . . 0.472 ' O ' ' O ' ' A' ' 490' ' ' ASN . 12.4 t -49.55 -174.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.348 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 492' ' ' ASP . . . . . 0.437 ' OD2' ' N ' ' A' ' 495' ' ' ALA . 25.4 t0 -69.09 162.34 27.17 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.476 1.11 . . . . 0.0 109.393 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 493' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 512' ' ' PHE . 0.0 OUTLIER -133.13 22.31 4.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.285 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 494' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -165.19 45.72 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.562 1.163 . . . . 0.0 108.278 179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 495' ' ' ALA . . . . . 0.437 ' N ' ' OD2' ' A' ' 492' ' ' ASP . . . -68.73 -17.64 64.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.572 1.17 . . . . 0.0 109.317 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 496' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.3 -55.47 3.89 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.989 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 497' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -110.41 99.35 40.32 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.95 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 498' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.31 11.06 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.976 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 499' ' ' CYS . . . . . 0.467 ' O ' ' N ' ' A' ' 503' ' ' GLY . 1.0 OUTLIER 70.06 30.77 3.47 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.491 1.119 . . . . 0.0 108.377 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 500' ' ' LEU . . . . . 0.461 HD22 ' HA ' ' A' ' 500' ' ' LEU . 0.2 OUTLIER -50.67 125.09 12.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.412 1.07 . . . . 0.0 109.329 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 501' ' ' HIS . . . . . 0.558 ' CD2' ' N ' ' A' ' 502' ' ' ASN . 0.0 OUTLIER 81.38 -45.49 0.21 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 109.636 -179.967 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 502' ' ' ASN . . . . . 0.558 ' N ' ' CD2' ' A' ' 501' ' ' HIS . 1.9 m-80 -69.17 -20.18 64.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 109.255 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 503' ' ' GLY . . . . . 0.478 ' HA2' ' CD ' ' A' ' 517' ' ' PRO . . . 151.13 -151.84 23.75 Favored Glycine 0 CA--C 1.528 0.906 0 O-C-N 124.487 1.117 . . . . 0.0 110.998 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 504' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 515' ' ' GLU . 5.7 ttp180 -127.2 125.36 40.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 0.763 . . . . 0.0 110.284 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 505' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -74.93 118.2 17.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 108.309 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 506' ' ' LEU . . . . . 0.651 HD23 ' HD3' ' A' ' 508' ' ' LYS . 4.9 tp -98.97 141.42 31.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 507' ' ' ASP . . . . . 0.408 ' OD2' ' O ' ' A' ' 490' ' ' ASN . 0.9 OUTLIER -103.23 89.28 3.35 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.587 1.179 . . . . 0.0 109.288 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 508' ' ' LYS . . . . . 0.651 ' HD3' HD23 ' A' ' 506' ' ' LEU . 1.8 mmmt -86.3 165.48 16.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 509' ' ' ILE . . . . . 0.475 ' O ' ' CB ' ' A' ' 510' ' ' ASN . 2.0 mp -87.96 69.31 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.386 1.054 . . . . 0.0 109.312 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 510' ' ' ASN . . . . . 0.475 ' CB ' ' O ' ' A' ' 509' ' ' ILE . 2.6 m-20 158.48 -26.1 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 511' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -175.73 -174.35 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 0.0 110.297 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 512' ' ' PHE . . . . . 0.47 ' HB3' ' CB ' ' A' ' 493' ' ' GLU . 1.4 p90 -116.56 144.05 44.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.404 1.065 . . . . 0.0 111.023 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 513' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.1 108.28 13.63 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.548 1.155 . . . . 0.0 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 514' ' ' CYS . . . . . . . . . . . . . 34.4 t -69.48 80.27 0.4 Allowed 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.55 1.156 . . . . 0.0 108.295 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 515' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 504' ' ' ARG . 59.7 mm-40 -44.99 168.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 110.286 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 516' ' ' CYS . . . . . . . . . . . . . 1.8 t -101.18 133.2 21.1 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 108.258 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 517' ' ' PRO . . . . . 0.49 ' HG2' ' CD1' ' A' ' 520' ' ' PHE . 18.5 Cg_endo -74.89 176.22 10.16 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.504 1.792 . . . . 0.0 111.041 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 518' ' ' THR . . . . . 0.409 HG23 ' O ' ' A' ' 518' ' ' THR . 9.0 t -150.54 43.73 0.84 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 519' ' ' GLY . . . . . . . . . . . . . . . -143.02 -50.68 0.04 OUTLIER Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.543 1.152 . . . . 0.0 110.955 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 520' ' ' PHE . . . . . 0.536 ' CG ' ' O ' ' A' ' 520' ' ' PHE . 12.5 p90 -49.08 121.41 4.79 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.564 0.802 . . . . 0.0 111.026 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 521' ' ' THR . . . . . 0.445 HG22 ' O ' ' A' ' 520' ' ' PHE . 0.5 OUTLIER 75.94 166.44 0.27 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 110.459 -179.918 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 522' ' ' GLY . . . . . . . . . . . . . . . -46.92 -94.74 0.01 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.482 1.113 . . . . 0.0 111.109 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 523' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -62.35 -173.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 0.758 . . . . 0.0 109.54 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 524' ' ' LEU . . . . . 0.757 HD13 ' N ' ' A' ' 524' ' ' LEU . 0.0 OUTLIER -114.1 -177.13 3.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 525' ' ' CYS . . . . . . . . . . . . . 1.2 p -81.98 147.58 29.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.412 1.07 . . . . 0.0 108.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 526' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.577 1.173 . . . . 0.0 110.273 -179.981 . . . . . . . . 1 1 . 1 stop_ save_