data_2k92_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 2k92 _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 ' 3' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.4 pt-20 -77.28 -52.93 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.6 pt-20 -46.92 -24.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -97.0 -33.09 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 6.5 t -50.47 -55.34 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' CG ' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.02 -46.27 11.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' GLY . 12.9 tttt -58.49 -55.26 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' GLN . 39.3 mt -44.22 -51.68 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.511 HG23 ' CE2' ' A' ' 28' ' ' PHE . 13.0 mm -72.33 -27.01 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.63 -20.03 79.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -111.81 -59.09 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 10' ' ' ILE . 9.0 mm100 -40.2 -65.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 28' ' ' PHE . 1.5 mt -57.53 -29.66 64.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 88.14 83.88 1.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 35.0 m -152.86 -169.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -87.38 175.23 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.42 57.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.93 -44.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.33 -8.63 48.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' CG ' ' A' ' 8' ' ' LYS . 8.5 t -73.44 121.56 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 p -118.87 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -134.99 32.84 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -177.31 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -145.82 117.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.9 m -67.28 69.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.673 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 4.3 m-85 -33.16 -51.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.498 ' CG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -38.83 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' ASP . 6.7 tm-20 -70.05 -55.43 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' SER . 21.2 t0 -37.78 -65.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -86.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.32 96.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -140.03 77.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.64 30.25 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.45 -52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.83 44.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 1.3 t70 -88.5 -85.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.517 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 5.3 t -78.36 -49.51 13.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 39' ' ' THR . 72.0 t -38.92 -30.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -101.07 -61.91 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -40.05 -46.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 39' ' ' THR . 51.6 t -49.02 -65.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mtp -45.06 -53.41 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . . . -57.3 -69.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 40.2 mt -49.81 -22.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.89 -51.28 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.8 -27.37 63.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.6 m-85 -155.74 -82.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.07 97.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 52' ' ' THR . 14.8 t -171.42 94.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -64.84 74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.52 105.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -74.98 145.0 31.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.409 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -46.43 -42.44 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -37.81 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.86 -15.9 19.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -71.72 -29.0 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.27 -8.39 39.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.35 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -14.34 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 3.4 pt -105.58 18.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.498 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 77.3 p -35.37 -34.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.8 p -90.86 -144.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.673 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 3.9 t -120.72 -44.67 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.5 tt0 -51.39 -51.75 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -50.87 -36.83 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.82 -22.01 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.3 mp -88.0 -58.62 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -56.03 -18.56 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.402 ' OH ' ' OG1' ' A' ' 52' ' ' THR . 2.3 t80 -81.03 -46.45 15.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.413 ' CG2' HD12 ' A' ' 3' ' ' ILE . 2.5 mm -72.56 -19.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.78 -32.43 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.17 -10.45 59.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.625 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.484 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -66.13 -20.37 66.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.73 -24.78 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -104.35 -21.16 13.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 3' ' ' ILE . 59.4 t -63.11 -41.42 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.24 -38.89 59.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLN . 6.4 mtmp? -60.29 -49.99 75.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 62.3 mt -49.07 -53.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CG2' HG21 ' A' ' 65' ' ' VAL . 35.5 mm -71.29 -26.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.88 -25.21 72.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mm100 -104.75 -57.06 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' ILE . 27.1 mm-40 -42.01 -64.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 28' ' ' PHE . 3.3 mt -63.84 -25.22 68.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.31 60.95 2.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 32.7 m -127.47 -173.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -83.88 179.43 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.89 -12.88 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -98.14 -25.32 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.22 6.95 30.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -114.83 136.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -142.99 174.82 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.0 p30 -92.58 74.66 5.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 2.9 p30 162.21 -28.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.77 150.44 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -119.65 79.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 63' ' ' THR . 3.1 p90 -41.59 -35.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -37.61 -80.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.85 -41.94 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 27.5 t0 -40.33 -59.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 2.2 mp -101.84 -108.57 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.93 80.53 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . . . -98.6 57.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.19 19.34 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.08 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.06 31.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -75.84 -81.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -88.99 18.63 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -108.97 -43.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.43 -42.39 17.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 2.2 tt -47.74 -39.2 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.9 t -55.95 -67.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.7 mmt -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 10' ' ' ILE . . . -56.34 -69.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 15.3 mt -49.23 -23.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -78.84 -52.73 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -34.81 72.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -50.41 -42.07 53.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.3 m-85 -147.73 -74.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.36 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ILE . 12.8 t -171.89 93.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 70.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.504 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -45.5 103.61 0.35 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.02 144.47 30.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -45.86 -40.52 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.35 -40.82 68.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.65 -8.47 31.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -83.54 -8.96 59.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.38 -17.91 57.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.12 -11.67 30.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 64' ' ' THR . 3.1 pt -103.12 16.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.61 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -36.73 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.4 p -107.47 165.86 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 110.375 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 11' ' ' ILE . 42.3 t -66.98 -50.45 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.8 -54.23 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -56.38 -19.09 13.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' VAL . . . -79.66 1.39 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.484 HG12 ' CB ' ' A' ' 4' ' ' GLU . 3.3 mp -109.51 -66.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -46.13 -25.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 69' ' ' ILE . 2.9 t80 -78.38 -40.24 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' ILE . 11.8 mm -70.24 -33.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -82.5 -28.29 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.1 10.87 61.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.609 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.5 pt-20 -52.44 -36.56 54.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 6.5 pt-20 -66.81 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 36.2 mtp180 -84.69 -6.54 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 69' ' ' ILE . 25.3 t -83.15 -34.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 mmtp -62.45 -38.43 89.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 5.8 pttt -66.81 -42.89 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 79.7 mt -59.45 -53.19 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.464 ' CG2' ' HG ' ' A' ' 15' ' ' LEU . 15.2 mm -72.11 -24.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -75.29 -25.45 68.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.02 -53.2 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' CG ' ' HB3' ' A' ' 45' ' ' ALA . 28.9 mm-40 -48.16 -64.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -65.78 -43.04 89.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.29 66.35 0.76 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.59 178.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 176.16 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -95.32 4.21 53.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -39.55 4.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.5 -20.99 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.7 t -81.51 111.87 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.433 ' C ' ' NZ ' ' A' ' 8' ' ' LYS . 13.6 p -119.93 176.29 5.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -63.8 -45.13 91.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.22 55.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.1 90.38 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.5 t -70.21 61.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.948 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 29' ' ' VAL . 20.1 p90 -35.57 -41.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.652 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -43.43 -69.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -52.34 4.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -40.7 -61.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.3 mp -97.37 -102.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.94 93.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.76 88.99 1.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.35 20.61 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 -80.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.19 29.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 3.2 p-10 -83.75 -50.52 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 2.5 t -95.9 -32.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' VAL . 55.3 t -66.19 -83.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' VAL . 6.0 mt-10 -37.86 -48.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 5.0 tt -41.79 -47.91 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' GLU . 22.6 t -46.93 -75.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 46.0 mtt -36.18 -53.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -57.04 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.554 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 17.9 mt -49.31 -23.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.1 mm-40 -79.23 -52.28 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -35.15 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -43.15 64.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -145.13 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.3 m-20 156.57 99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ILE . 8.7 t -172.93 94.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 5.3 pt-20 -63.66 75.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -57.16 109.38 1.69 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.46 34.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' GLU . 21.9 t70 -56.45 -34.96 67.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -54.7 -35.23 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -10.17 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.29 12.58 29.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.9 tp10 -103.92 -19.24 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -94.73 6.62 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 8.9 pt -92.49 -56.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 64' ' ' THR . 11.3 p 46.54 22.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 63' ' ' THR . 28.0 p -157.79 176.18 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 11' ' ' ILE . 42.2 t -86.5 -53.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ILE . 18.1 tp60 -40.44 -54.18 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -47.21 -49.21 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.58 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.461 HG13 ' CG1' ' A' ' 7' ' ' VAL . 7.8 mt -81.73 -56.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -20.05 8.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -84.92 -49.85 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 3' ' ' ILE . 17.0 mm -59.2 -23.92 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.47 -34.48 15.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.3 19.95 32.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 109.603 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 tt0 -68.93 -52.76 25.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.4 -28.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.6 mtp85 -92.8 -51.24 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.16 -37.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.9 -43.83 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ARG . 19.6 mttt -57.18 -52.24 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 52.6 mt -46.27 -52.06 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 65' ' ' VAL . 10.9 mm -72.63 -27.61 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.0 -25.27 75.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.8 mm100 -105.04 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 14' ' ' GLN . 27.6 mm-40 -40.87 -64.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -63.32 -51.77 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.84 76.39 1.0 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.9 m -155.17 -179.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 175.33 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -96.16 -6.18 38.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.35 -43.62 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -25.43 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 1.5 p -87.1 113.47 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -129.44 -162.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -84.5 -48.14 9.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -98.39 55.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.02 91.35 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 78.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 63' ' ' THR . 4.3 p90 -38.57 -37.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.454 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -39.65 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' ASP . 7.3 tm-20 -74.06 -53.98 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -39.81 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -89.05 -107.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.28 85.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . . . -108.55 61.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.73 24.07 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -174.21 113.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.49 24.23 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 15.9 p-10 -74.65 -50.78 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -102.48 -60.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 74.7 t -33.67 -57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -65.55 -58.5 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -40.8 -39.85 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 39' ' ' THR . 22.0 t -52.11 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -52.5 26.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.537 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.3 -65.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 42' ' ' LEU . 13.1 mt -52.46 -21.52 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -81.01 -51.66 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -34.8 78.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -42.27 -44.19 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.71 -73.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 2.7 p-10 168.02 91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 105.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 8.3 pt-20 -74.76 110.45 9.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.492 HG23 ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -58.39 112.19 4.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.427 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 144.26 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -44.78 -61.63 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.7 mm-40 -38.69 -29.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.515 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -96.73 -38.82 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 39' ' ' THR . . . -47.69 -30.02 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.05 -40.26 12.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -71.0 -8.69 55.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 58' ' ' GLU . 9.9 pt -103.42 20.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 t -36.97 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.8 p -104.69 164.21 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 11' ' ' ILE . 61.8 t -70.5 -48.52 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 1.3 tt0 -39.47 -54.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -49.78 -44.43 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -57.67 -23.31 50.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 9.1 mt -87.06 -42.72 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -17.17 62.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HH ' ' N ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -83.04 -48.77 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 3' ' ' ILE . 5.1 mm -65.04 -30.0 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 3' ' ' ILE . 6.8 m-20 -80.38 -35.98 34.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.0 22.6 21.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.637 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 11.5 pt-20 -62.84 -52.21 64.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.5 pt-20 -42.95 -32.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -86.92 -40.21 15.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 69' ' ' ILE . 37.7 t -47.63 -46.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -52.74 -38.24 60.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.04 -52.99 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 36.7 mt -48.5 -55.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 15' ' ' LEU . 11.2 mm -69.6 -26.09 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.71 -25.04 73.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.155 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.8 mm-40 -105.12 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 13.3 mm-40 -43.12 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' A' ' 28' ' ' PHE . 1.8 mt -55.3 -57.51 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.41 60.06 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 22' ' ' VAL . 16.8 m -140.18 -173.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -174.5 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.68 -53.08 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.59 -45.2 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -50.08 66.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 17' ' ' VAL . 70.8 t -56.14 138.42 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 p -133.54 172.43 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -91.27 39.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.41 37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.79 129.08 48.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' PHE . 3.4 m -93.33 76.41 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 15' ' ' LEU . 8.4 p90 -35.25 -40.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.5 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -40.08 -75.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -79.2 -59.19 2.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.43 -70.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.1 mt -84.34 -104.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.22 91.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -142.14 79.95 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.13 45.04 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.94 -74.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.63 30.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.6 t0 -67.58 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 1.4 m -76.39 -59.23 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' THR . 5.3 t -30.87 -60.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -65.31 -60.5 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -38.08 -42.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 39' ' ' THR . 26.3 t -49.66 -66.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -55.51 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.1 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 16.5 mt -51.86 -21.85 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -81.47 -53.08 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -34.96 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -62.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -128.63 -66.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 2.1 m-20 157.48 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 t -168.92 108.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 6.3 pt-20 -73.33 94.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -39.69 120.58 1.41 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.68 30.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 58' ' ' GLU . 34.5 t0 -65.18 -56.76 11.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -100.45 -41.63 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -17.57 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -10.93 21.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -99.98 -14.89 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 9.7 pt -74.99 -56.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.545 ' O ' ' CG2' ' A' ' 64' ' ' THR . 14.9 p 48.56 18.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 63' ' ' THR . 20.3 p -159.16 -170.01 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.455 ' CG2' HG22 ' A' ' 11' ' ' ILE . 43.9 t -96.05 -54.49 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' ILE . 14.6 tp60 -38.13 -53.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -49.06 -47.75 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -54.97 -22.55 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 7' ' ' VAL . 14.8 mt -92.7 -53.9 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -23.33 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' HG12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -83.51 -47.38 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 71' ' ' TYR . 7.2 mm -68.67 -16.65 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.07 -30.12 18.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 -2.81 67.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.626 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 17.5 pt-20 -58.35 -33.57 69.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.93 -39.15 93.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -82.47 -29.99 30.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.432 ' CG2' HD12 ' A' ' 3' ' ' ILE . 11.9 t -55.83 -39.48 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' GLY . 17.9 mmtp -53.0 -37.13 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 tttt -64.25 -51.45 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 73.7 mt -48.67 -51.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.432 HG21 ' CG2' ' A' ' 65' ' ' VAL . 33.6 mm -72.4 -30.28 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.74 -24.74 76.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.95 -58.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 26.9 mm-40 -42.32 -65.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.7 mt -65.76 -32.29 73.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 72.19 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.85 162.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.86 177.14 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 20' ' ' GLU . 8.6 pt20 -84.8 -43.32 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 18.1 mt-10 -62.82 -44.1 97.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -23.44 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.9 117.62 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -128.29 148.06 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -82.26 75.92 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 176.77 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -49.11 141.13 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -96.68 60.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CD1' HG21 ' A' ' 65' ' ' VAL . 35.3 m-85 -41.89 164.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG2' ' C ' ' A' ' 28' ' ' PHE . 2.4 t 83.49 -50.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -102.35 -60.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -42.56 -91.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.09 97.77 0.12 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.47 75.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -123.71 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -157.48 -70.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 33.98 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 39' ' ' THR . 4.0 t0 -79.63 -90.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 10.2 t -70.05 -53.52 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' THR . 50.2 t -36.28 -35.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -97.1 -60.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.532 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -40.47 -46.93 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 39' ' ' THR . 48.8 t -47.21 -65.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.2 mmt -47.29 -52.53 15.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.54 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.79 -70.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.0 mt -49.2 -23.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -77.95 -51.02 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -41.35 80.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.6 -34.49 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 5.2 m-85 -143.52 -83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER 156.18 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ILE . 11.2 t -160.17 96.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.0 75.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.25 107.31 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -74.97 145.07 31.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 4.9 p-10 -45.35 -51.18 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.75 -38.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.96 -22.6 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -64.99 -20.68 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -77.93 -45.42 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -60.0 -15.62 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' THR . 11.1 pt -109.98 31.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -41.39 -28.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' ILE . 62.5 p -91.78 -158.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 28' ' ' PHE . 79.7 t -108.76 -46.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -46.87 -54.0 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.66 -49.46 19.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.91 -28.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.412 HG23 ' CB ' ' A' ' 4' ' ' GLU . 6.5 mt -86.36 -58.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -49.14 -28.05 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 2.9 t80 -81.58 -36.62 28.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 52' ' ' THR . 1.6 mm -73.01 -21.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -84.97 -27.99 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.16 -1.52 63.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.575 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 23.1 pt-20 -73.7 -52.19 14.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.1 pt-20 -49.08 -25.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -93.37 -37.32 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 38.3 t -51.33 -40.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 32.5 mmtm -51.19 -44.27 61.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.0 mttm -60.0 -58.47 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.537 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 3.3 mt -42.01 -55.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.544 ' CG2' ' CD2' ' A' ' 28' ' ' PHE . 16.8 mm -68.85 -29.93 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -70.09 -24.12 76.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' LYS . 6.8 mm-40 -105.91 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 30.3 mm-40 -38.39 -68.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' PHE . 1.7 mt -54.69 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.06 69.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' A' ' 28' ' ' PHE . 26.8 m -143.96 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -178.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.74 3.83 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -39.62 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.54 -25.51 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 8' ' ' LYS . 4.9 t -55.96 120.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.0 p -106.31 -165.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -126.01 37.18 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -178.84 38.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.97 136.77 52.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.44 118.8 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 3.4 m-85 -94.97 1.83 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 63' ' ' THR . 2.1 t -108.04 -40.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -88.48 -74.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -53.18 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.43 100.79 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.75 77.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.37 44.19 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -171.56 -70.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 30.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 39' ' ' THR . 4.4 t0 -71.59 -88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 15.2 t -80.4 -48.99 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 98.5 t -37.33 -32.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -99.91 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.66 -46.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 39' ' ' THR . 48.2 t -47.52 -73.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' VAL . 31.5 mtt -37.32 -54.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.537 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.15 -70.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 42' ' ' LEU . 36.0 mt -48.28 -23.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.1 -53.27 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.93 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.55 -37.35 65.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -145.96 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.4 m-20 159.34 93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.6 OUTLIER -169.76 94.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 77.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.93 109.72 1.61 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.01 144.58 30.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.4 p-10 -54.01 -47.58 71.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -22.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -19.82 12.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -99.05 11.96 37.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 57.8 tt0 -103.67 -24.27 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 -7.06 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.467 ' HB ' ' CB ' ' A' ' 67' ' ' ALA . 12.3 pt -77.05 -55.46 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 64' ' ' THR . 44.6 p 41.09 27.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 63' ' ' THR . 38.9 p -156.86 173.55 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.639 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 2.8 t -89.45 -41.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.8 tp-100 -54.75 -53.77 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 62' ' ' ILE . . . -41.19 -59.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.94 -40.29 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 7' ' ' VAL . 9.6 mt -76.09 -60.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.05 -24.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' ALA . 2.8 t80 -84.39 -51.99 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CG2' HD13 ' A' ' 3' ' ' ILE . 3.7 mm -57.96 -33.07 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.71 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.09 3.69 85.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.597 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.0 pt-20 -60.95 -12.81 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 8.5 pt-20 -101.33 -40.9 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -75.61 -30.8 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' CG2' ' CD1' ' A' ' 3' ' ' ILE . 2.3 t -54.08 -48.81 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.4 mmtt -47.18 -44.1 21.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.3 mttm -63.09 -52.18 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 54.8 mt -47.84 -50.99 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.477 ' CG2' ' HG ' ' A' ' 15' ' ' LEU . 2.5 mm -73.11 -29.07 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.89 -24.9 76.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.7 mm100 -105.36 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 45' ' ' ALA . 90.1 mm-40 -40.74 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.645 ' CD1' ' CG ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -60.99 -41.14 95.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.458 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 98.15 77.44 1.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 16' ' ' GLY . 30.2 m -156.64 -172.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 3.7 mppt? -89.91 175.14 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -94.74 -49.63 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -24.01 66.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -56.74 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' C ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -59.59 151.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 24' ' ' ASN . 10.4 p -148.3 -137.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' ' OG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -111.09 -53.43 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -72.37 -11.73 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.94 120.95 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.6 m -99.16 82.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.645 ' CG ' ' CD1' ' A' ' 15' ' ' LEU . 11.8 p90 -39.74 -36.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.551 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.78 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.54 -40.61 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' SER . 16.0 t70 -39.91 -42.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -117.08 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 157.12 99.73 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . . . -166.76 92.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.72 21.93 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -71.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 23.49 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 1.3 p-10 -75.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 -56.84 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' VAL . 21.0 t -41.25 -83.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' LEU . 3.5 mt-10 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -39.12 -40.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 26.9 t -54.06 -72.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' VAL . 22.5 mtt -35.6 -52.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.84 -72.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 42' ' ' LEU . 11.7 mt -46.94 -24.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.49 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -75.49 -53.54 8.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.79 78.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -44.07 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -125.36 -62.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.8 m-20 155.41 97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ILE . 12.0 t -175.25 100.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -67.24 62.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.572 HD12 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -43.26 104.72 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.421 ' N ' HD11 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 147.16 33.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -54.69 -46.24 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.94 -28.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -112.91 -21.67 11.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -87.24 -0.68 57.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -104.69 -33.03 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.65 -2.95 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 9.8 pt -81.25 -56.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.525 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.2 p 62.74 7.98 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 63' ' ' THR . 17.6 p -158.8 179.04 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 11' ' ' ILE . 42.7 t -84.98 -40.1 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -49.72 -53.78 22.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -58.86 -16.34 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.58 -27.04 21.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 4' ' ' GLU . 82.2 mt -87.91 -61.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -22.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE2' HD12 ' A' ' 54' ' ' ILE . 1.5 t80 -79.39 -46.77 16.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CG2' HD13 ' A' ' 3' ' ' ILE . 25.9 mm -74.31 -12.66 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -98.34 -32.49 11.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.0 2.96 87.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.577 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.3 pp20? -50.55 -35.34 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.13 -21.99 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 60.2 mtp85 -95.46 -27.91 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 3' ' ' ILE . 55.8 t -60.43 -38.72 78.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -55.06 -38.13 67.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 mtmt -63.96 -57.8 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.509 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 43.6 mt -45.61 -51.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 65' ' ' VAL . 26.5 mm -71.87 -26.7 25.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.73 -25.2 74.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.38 -53.99 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 24.4 mm-40 -48.44 -64.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 28' ' ' PHE . 6.5 mt -54.43 -59.52 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.08 53.12 0.36 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -129.74 -173.68 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -101.36 179.8 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.01 60.37 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -159.3 -46.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -86.06 10.45 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.81 96.5 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 81.8 p -108.71 -168.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -86.52 -43.94 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -93.13 34.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -111.4 84.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 28' ' ' PHE . 1.5 m -69.16 69.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD2' HD12 ' A' ' 15' ' ' LEU . 21.2 p90 -36.27 -34.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 17.3 t -36.35 -74.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -98.41 -40.45 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -44.16 -64.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -94.53 -84.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 162.17 99.34 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.26 88.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.79 15.06 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.46 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 5.0 m -117.8 -69.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -101.15 27.41 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.92 -90.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 7.9 p -58.63 -57.48 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 41' ' ' GLU . 70.4 t -38.99 -87.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -38.39 -53.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.592 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.9 tt -42.23 -52.5 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 39.0 t -44.47 -69.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -49.04 11.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.509 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -58.75 -69.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 49.9 mt -51.18 -22.16 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -79.48 -50.0 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -34.75 72.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 1.2 tp10 -61.52 -28.41 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 1.1 m-85 -152.69 -80.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 156.07 94.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ILE . 9.4 t -163.94 94.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.48 71.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.6 105.33 0.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.06 144.73 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.428 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 22.9 t0 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.3 -41.97 63.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.52 -10.13 25.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -75.81 -25.11 56.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 63' ' ' THR . 0.0 OUTLIER -76.66 -20.93 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 3.34 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.1 pt -124.49 26.85 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 60' ' ' GLU . 58.7 p -35.58 -44.63 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 62' ' ' ILE . 21.4 p -90.49 167.97 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 11' ' ' ILE . 50.5 t -71.65 -54.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 1.4 tt0 -37.19 -54.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -47.84 -49.64 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -47.2 -26.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 66' ' ' GLN . 7.1 mt -85.87 -60.82 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -21.52 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' ALA . 3.9 t80 -81.16 -42.89 20.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.56 -25.86 27.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -87.48 -31.22 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.54 13.46 55.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.57 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 3.3 pt-20 -68.1 -36.56 79.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.51 -21.85 59.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -93.01 -33.66 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 25.3 t -46.92 -45.43 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.92 -41.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.6 tttt -64.58 -53.16 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.514 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 45.9 mt -47.5 -50.51 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.447 HG13 ' CG1' ' A' ' 65' ' ' VAL . 2.9 mm -72.86 -31.9 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -68.64 -25.19 75.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.5 mm-40 -103.67 -59.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 45' ' ' ALA . 13.3 mm100 -41.79 -64.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -64.59 -28.49 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.29 72.71 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.43 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 2.2 t -137.69 171.08 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 175.04 9.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.9 51.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.3 -50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 30.3 t -68.35 80.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -93.26 -159.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -92.97 -45.02 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -97.68 49.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.54 121.8 46.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -99.74 75.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.472 ' CE2' ' C ' ' A' ' 64' ' ' THR . 1.2 p90 -37.8 -38.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -79.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.62 -56.79 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.07 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -94.09 -112.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -172.09 87.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 28' ' ' PHE . . . -83.43 50.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.99 43.34 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER 178.37 118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 43.04 28.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -63.07 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.21 -48.96 14.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.6 -71.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -52.14 -54.28 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -38.99 -45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' GLU . 20.5 t -47.45 -64.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.3 mmt -45.33 -55.44 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.514 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.12 -67.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 35.3 mt -50.02 -23.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.06 -52.92 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -35.61 74.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -52.51 -20.53 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -169.63 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.89 94.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 52' ' ' THR . 13.3 t -167.82 88.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -63.3 76.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.565 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -57.63 109.68 1.95 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.411 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 144.71 30.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.6 p-10 -53.86 -45.87 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.45 -33.61 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.17 -18.17 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.603 ' O ' ' CG2' ' A' ' 62' ' ' ILE . . . -82.86 -57.41 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -39.28 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.76 40.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.603 ' CG2' ' O ' ' A' ' 59' ' ' ALA . 7.2 pt -125.79 -55.82 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' A' ' 64' ' ' THR . 11.4 p 49.72 18.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 63' ' ' THR . 12.0 p -159.84 174.82 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 11' ' ' ILE . 23.3 t -87.11 -46.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.7 tt0 -47.01 -52.91 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 71' ' ' TYR . . . -43.07 -29.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 66' ' ' GLN . . . -78.45 -44.33 24.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' GLN . 87.7 mt -68.15 -51.7 45.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.33 -20.6 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -81.94 -48.3 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 52' ' ' THR . 16.0 mm -62.34 -23.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -88.57 -32.08 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.42 16.01 51.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.568 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 18.8 pt-20 -54.99 -49.45 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.3 pt-20 -49.28 -36.4 20.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -85.0 -29.26 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 3' ' ' ILE . 36.4 t -58.18 -38.45 68.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -52.39 -37.93 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLN . 17.5 mttt -61.43 -51.58 68.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.533 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -48.1 -52.18 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 65' ' ' VAL . 41.6 mm -71.81 -28.72 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -71.46 -25.37 75.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.7 mm-40 -104.08 -56.9 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 38.5 mm-40 -42.9 -64.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 28' ' ' PHE . 6.8 mt -57.4 -74.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.94 49.54 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.84 -173.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.43 175.59 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 2.6 tm0? -101.05 -35.38 9.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.36 -33.81 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.46 -45.85 29.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.39 130.79 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -137.86 164.93 27.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 10.6 p-10 -78.75 73.06 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 175.73 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.31 164.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -125.97 76.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . 4.4 p90 -38.52 -36.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.86 -87.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -95.48 -39.56 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 27' ' ' SER . 4.7 t70 -39.25 -58.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.63 -76.87 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 158.94 100.19 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.44 85.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.764 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.08 26.85 7.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -138.81 -80.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.412 ' CD2' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.19 32.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 13.6 t0 -70.61 -69.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 40' ' ' VAL . 1.0 OUTLIER -87.93 -61.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.8 t -29.16 -52.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.412 ' OE2' ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.92 -61.81 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.603 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.85 -40.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 39' ' ' THR . 21.6 t -49.01 -65.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.4 mtp -46.04 -52.71 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.6 -63.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 21.3 mt -54.37 -20.3 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 1.2 mm-40 -83.0 -51.54 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.52 78.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -41.48 -61.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -130.86 -68.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 1.5 m-20 161.66 90.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 t -177.71 115.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -80.01 105.85 11.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.48 HG23 ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -51.8 112.45 3.21 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.412 ' N ' HD11 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.94 144.58 30.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLU . 27.9 t0 -46.55 -61.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -40.17 -28.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -94.56 -48.83 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' CD1' ' A' ' 54' ' ' ILE . . . -40.51 -38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.93 -39.75 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLU . 2.0 mttm -69.19 -8.74 48.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' THR . 24.0 pt -111.33 28.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.582 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -37.44 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.3 p -108.15 168.01 9.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 11' ' ' ILE . 47.4 t -72.21 -45.45 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . 9.9 tp60 -35.87 -54.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . . . -55.92 -52.54 63.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . . . -38.77 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 2.8 mp -83.71 -52.91 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' ALA . 30.1 t70 -55.81 -18.94 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.19 -53.14 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 46' ' ' LEU . 3.9 mm -58.42 -39.15 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.79 -30.68 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.66 60.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.542 0.789 . . . . 0.0 109.622 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 17.9 pt-20 -67.27 -19.5 65.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.77 -25.59 65.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 8.2 mtp85 -102.34 -29.35 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 69' ' ' ILE . 77.4 t -55.25 -46.6 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -49.51 -43.67 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -55.7 24.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.54 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 47.4 mt -44.56 -51.49 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 15' ' ' LEU . 16.3 mm -72.27 -30.6 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -67.98 -20.26 72.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -112.51 -60.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 33.9 mm-40 -37.84 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' A' ' 28' ' ' PHE . 3.4 mt -57.47 -46.28 83.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 103.64 90.38 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 16' ' ' GLY . 29.5 m -156.46 -169.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -178.61 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.54 34.27 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.24 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -7.67 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 2.9 t -73.18 79.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.49 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 12.0 p -83.88 -139.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -121.22 -63.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -67.08 -11.23 56.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -53.31 106.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 2.2 m -83.35 80.2 9.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 7.2 m-85 -39.54 -42.4 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.479 HG21 ' CA ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -39.98 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -75.17 -51.67 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' SER . 7.0 t70 -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 28' ' ' PHE . 2.3 mt -99.59 -102.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 176.48 92.18 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . -86.08 50.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.57 36.61 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -175.64 117.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER 39.19 42.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.3 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 70.5 p -67.7 -52.61 35.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 60.9 t -38.26 -79.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.75 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD2' HG21 ' A' ' 54' ' ' ILE . 1.2 tt -43.17 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' GLU . 12.7 t -54.23 -62.52 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 25.2 mmt -47.99 -54.75 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.54 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.57 -65.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 42' ' ' LEU . 12.0 mt -53.92 -20.61 6.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -80.61 -50.53 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -34.33 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -75.62 -75.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -85.05 -51.62 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.1 t70 84.29 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -135.58 9.86 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CG ' ' C ' ' A' ' 52' ' ' THR . 1.5 pt-20 39.18 75.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -64.46 111.89 6.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 144.59 30.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLU . 17.3 t70 -54.18 -34.27 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.42 -32.08 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -109.47 -6.05 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 54' ' ' ILE . . . -106.39 4.4 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ASP . 24.6 tt0 -102.05 -35.45 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.81 1.86 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 63' ' ' THR . 8.5 pt -78.6 -55.62 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.53 ' O ' ' CG2' ' A' ' 64' ' ' THR . 8.3 p 46.99 22.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.7 p -158.04 172.64 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.59 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 21.6 t -89.51 -35.78 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ILE . 15.7 tp60 -58.14 -53.31 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 62' ' ' ILE . . . -39.92 -54.86 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 46' ' ' LEU . . . -46.11 -44.6 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' GLN . 5.4 mt -69.22 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.82 -26.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.0 t80 -83.44 -47.7 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' A' ' 50' ' ' PHE . 17.6 mm -58.09 -23.35 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -88.72 -51.39 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.53 -26.03 4.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.517 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.517 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 10.1 pt-20 -77.48 -46.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.3 pt-20 -62.74 -21.57 65.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -99.51 -20.45 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 1.8 t -62.32 -40.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -53.94 -32.36 53.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -60.35 -55.32 35.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 mt -44.94 -53.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 65' ' ' VAL . 20.8 mm -71.03 -25.8 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.67 -25.24 72.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.6 mm-40 -105.33 -57.71 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 13.2 mm100 -42.47 -64.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.528 HD11 ' CG ' ' A' ' 28' ' ' PHE . 2.1 mt -55.76 -65.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.94 60.72 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.27 167.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 175.0 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 14.26 20.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.34 -35.99 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -79.37 -15.91 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' CG ' ' A' ' 8' ' ' LYS . 14.4 t -92.09 130.88 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 p -149.3 174.5 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.8 p-10 -89.08 75.33 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.4 p-10 162.55 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 148.25 43.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -116.26 80.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.9 p90 -40.31 -35.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.497 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.83 -82.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' ASP . 12.2 tm-20 -93.62 -42.01 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 31.1 t0 -40.26 -61.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.73 -84.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 164.4 98.81 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.61 89.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -123.22 31.67 5.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 t -144.4 -72.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 29.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 2.2 t0 -72.43 -83.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -76.81 -54.64 6.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' THR . 27.4 t -36.78 -67.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -56.75 -55.95 27.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -39.47 -46.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' GLU . 21.5 t -47.69 -61.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 6.9 mtt -46.35 -55.94 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.488 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.87 -65.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.57 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 36.4 mt -54.05 -20.12 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -81.83 -50.17 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -34.39 64.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -72.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 72' ' ' ILE . 3.8 m-30 -94.31 -48.18 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t70 85.18 82.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.5 ' CG2' ' OH ' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -141.15 13.23 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.3 pt-20 35.3 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.05 113.63 37.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.95 145.52 31.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLU . 6.0 p-10 -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -26.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -22.54 12.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.18 12.04 30.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -100.8 -21.54 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -16.74 35.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 10.3 pt -76.97 -56.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.6 t 43.79 24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' THR . 31.7 p -157.82 177.65 11.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 11' ' ' ILE . 11.7 t -87.06 -51.4 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -45.49 -53.2 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -52.61 -35.06 53.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.47 -11.97 39.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 7' ' ' VAL . 30.4 mt -97.05 -47.55 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.28 -21.81 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -83.46 -50.43 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.577 HG12 ' CE2' ' A' ' 71' ' ' TYR . 2.2 mm -60.07 -27.12 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.78 -36.15 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.62 -16.16 28.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.9 m80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.631 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.502 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 1.2 tm-20 -54.69 -57.48 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -43.41 -30.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -90.83 -33.84 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 3' ' ' ILE . 53.9 t -56.16 -41.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.2 mmtp -53.66 -33.44 55.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -62.14 -49.9 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 14' ' ' GLN . 68.3 mt -53.64 -61.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.403 HG22 ' CG2' ' A' ' 65' ' ' VAL . 23.6 mm -63.12 -23.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -81.64 -17.55 70.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.0 mm100 -112.78 -64.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 6.7 mm-40 -36.96 -64.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 1.6 mt -55.49 -70.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.47 62.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -143.59 -175.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 1.3 mppt? -86.74 179.19 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -104.6 43.21 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -142.81 -50.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.35 -38.33 80.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.59 118.55 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 43.3 p -123.77 176.04 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -72.81 -38.61 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -100.02 51.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -140.68 107.69 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -80.2 74.15 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 65' ' ' VAL . 20.8 p90 -33.06 -38.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.8 t -39.43 -63.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' ASP . 2.6 tm-20 -104.81 -51.12 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -37.04 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -80.88 -107.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.95 83.62 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . . . -141.42 82.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.95 40.85 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.36 33.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 7.3 p-10 -78.24 -50.93 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -101.83 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' THR . 13.2 t -36.75 -59.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -62.78 -58.43 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -39.8 -43.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.542 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 33.3 t -50.54 -66.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtt -43.56 -53.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . . . -55.95 -71.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.53 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 45.3 mt -47.42 -24.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -76.14 -52.4 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -35.84 81.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -28.9 56.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -156.22 -82.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.58 92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 52' ' ' THR . 15.2 t -164.68 90.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.406 ' HA ' ' CD ' ' A' ' 47' ' ' GLU . 2.8 pt-20 -65.19 73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.542 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -50.33 106.5 0.65 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.03 161.62 38.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -56.82 -53.08 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.2 pt-20 -44.29 -35.19 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -95.86 -22.25 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -67.14 -10.69 52.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -85.98 -36.03 20.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.5 pt -101.44 21.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -33.69 -36.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.44 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.6 p -108.1 166.27 10.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 28' ' ' PHE . 42.7 t -69.61 -45.62 77.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -38.32 -54.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -53.22 -51.52 61.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' ALA . . . -40.11 -29.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.502 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 29.1 mt -83.7 -67.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -25.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 4.9 t80 -77.17 -44.72 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 52' ' ' THR . 5.3 mm -67.79 -26.51 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.49 -36.99 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.87 -19.8 23.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.579 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 25.2 pt-20 -54.73 -48.65 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -50.57 -38.2 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -82.1 -31.41 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 69' ' ' ILE . 17.8 t -56.67 -36.55 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -54.85 -32.42 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -51.88 52.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.469 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 78.9 mt -49.9 -54.33 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 15' ' ' LEU . 11.5 mm -70.46 -30.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -64.67 -25.25 70.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -60.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.442 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 20.0 mm-40 -40.53 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 28' ' ' PHE . 5.3 mt -45.82 -54.44 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 79.97 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 22' ' ' VAL . 29.2 m -151.22 -168.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -177.63 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -120.08 63.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.62 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.9 -8.84 52.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 17' ' ' VAL . 3.2 t -73.48 135.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 65.8 p -128.59 -174.23 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -91.45 -49.4 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -90.93 48.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.462 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -111.22 101.36 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' PHE . 71.9 m -75.3 70.6 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 15' ' ' LEU . 5.4 m-85 -33.48 -49.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -35.66 -65.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -88.86 -60.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 1.5 m-20 -38.36 -59.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -105.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.19 95.68 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.82 51.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.64 44.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER 174.61 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 38.12 43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 39' ' ' THR . 4.0 t0 -73.39 -88.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 7.9 t -71.45 -53.98 12.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.489 ' C ' ' O ' ' A' ' 39' ' ' THR . 57.5 t -33.74 -65.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 1.1 mp0 -60.59 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.588 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 4.7 tt -38.44 -47.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 47' ' ' GLU . 38.2 t -47.44 -74.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 26.7 mmt -35.98 -57.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.06 -73.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.588 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 23.3 mt -44.98 -26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -73.72 -55.61 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -32.33 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -135.01 34.97 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.7 t0 51.92 86.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.7 OUTLIER -155.72 94.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -62.2 147.83 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -132.85 96.08 18.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.1 Cg_endo -74.98 145.77 31.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.453 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 17.7 p-10 -38.64 -53.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.1 tp10 -37.98 -42.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -98.77 -22.54 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -67.18 -26.45 66.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.99 -6.58 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -7.05 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 2.8 pt -108.57 15.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.473 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 61.6 p -35.65 -34.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.1 p -96.39 154.62 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 28' ' ' PHE . 11.8 t -67.31 -38.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.3 tt0 -53.56 -54.07 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' TYR . . . -47.4 -42.55 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . . . -59.4 -34.39 72.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.477 HG13 ' CG1' ' A' ' 7' ' ' VAL . 1.7 mt -72.45 -57.69 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -15.25 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 15.8 t80 -82.06 -47.23 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.81 -22.06 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -90.52 -31.09 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.26 13.5 54.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.619 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.504 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 20.3 pt-20 -53.44 -47.39 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -53.53 -35.09 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.7 -23.78 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' HD12 ' A' ' 3' ' ' ILE . 41.1 t -64.05 -37.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 22' ' ' VAL . 19.1 mmtp -58.16 -28.35 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -72.5 -56.59 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.515 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 74.7 mt -49.42 -68.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.531 HG22 ' CE2' ' A' ' 28' ' ' PHE . 13.8 mm -44.81 -29.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.84 -90.23 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -37.54 -40.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 10.0 mm100 -66.3 -86.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 2.5 mt -50.17 -60.88 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 114.89 83.05 1.09 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 28' ' ' PHE . 1.8 t -141.09 166.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -84.51 175.05 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -5.38 59.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -114.82 4.11 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.35 8.18 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 8' ' ' LYS . 24.7 t -111.91 97.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -111.34 -166.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -99.39 -32.47 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -108.52 49.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.43 104.23 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' PHE . 4.5 m -71.25 68.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.9 m-85 -34.64 -45.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' CA ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -40.4 -71.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 10.7 tm-20 -78.86 -63.04 1.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -38.5 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 28' ' ' PHE . 2.5 mt -94.98 -111.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.84 83.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -86.73 50.47 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.06 33.16 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.02 117.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.53 26.9 14.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 3.1 t0 -71.95 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 1.2 m -67.79 -56.25 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' THR . 66.3 t -38.22 -85.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' VAL . 2.0 mt-10 -38.08 -53.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD2' HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -46.51 -53.55 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 39' ' ' THR . 21.9 t -41.6 -74.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 mmt -43.15 -52.35 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -54.96 -72.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.479 HD12 ' CD2' ' A' ' 42' ' ' LEU . 19.1 mt -47.5 -24.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.84 -51.3 11.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -42.32 76.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -54.32 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -131.36 -74.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 155.8 98.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.3 OUTLIER -177.83 100.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 130.82 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.576 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -111.8 108.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.4 Cg_endo -74.96 144.68 30.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.9 p-10 -51.36 -46.88 62.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.83 -21.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -17.41 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -102.19 12.0 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.3 tt0 -102.79 -38.44 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -73.93 -4.66 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 8.8 pt -71.66 -57.38 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.474 ' CA ' HG23 ' A' ' 29' ' ' VAL . 12.2 p 46.85 21.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 63' ' ' THR . 67.5 p -155.43 -176.62 6.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.574 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 88.6 t -98.58 -37.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.4 tt0 -54.21 -52.9 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -38.67 -59.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.72 -44.33 9.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' GLN . 6.6 mt -67.86 -67.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -26.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 9.2 t80 -78.03 -42.57 32.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ILE . 20.1 mm -72.15 -26.06 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -88.83 -30.7 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.95 8.43 70.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.599 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.8 pt-20 -90.16 -50.98 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -47.85 -30.62 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' LYS . 25.4 mtp85 -87.52 -39.37 15.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 2.7 t -41.53 -57.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.75 -40.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -67.62 -48.25 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.551 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 50.0 mt -51.57 -39.47 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.491 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 20.4 mm -85.06 -23.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 17' ' ' VAL . . . -98.66 17.14 58.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.6 mm100 -135.65 -49.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -70.01 -66.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 28' ' ' PHE . 2.3 mt -42.52 -55.94 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 118.47 77.62 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 16' ' ' GLY . 18.8 m -158.33 -176.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 176.23 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -107.96 50.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.03 -46.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.14 106.03 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -110.18 -170.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.54 26.14 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.51 30.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -105.51 102.76 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ASP . 15.9 m -64.47 76.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 15' ' ' LEU . 1.3 t80 -35.83 -41.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -39.83 -77.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ASP . 1.1 tm-20 -91.07 -46.14 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 34.7 t70 -39.07 -64.42 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.36 -96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.147 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -106.05 57.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.77 24.27 13.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.16 115.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.54 20.21 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 5.3 t0 -64.08 -85.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 27.0 p -76.5 -59.92 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.3 t -32.48 -69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -57.06 -56.41 22.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -39.5 -46.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 39' ' ' THR . 15.3 t -42.46 -60.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mmt -52.56 -50.32 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.551 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.31 -71.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 42' ' ' LEU . 9.9 mt -47.99 -24.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -77.57 -54.34 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -33.92 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.7 -89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -92.58 -34.11 14.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.9 t70 86.51 80.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.567 HG23 ' CE2' ' A' ' 71' ' ' TYR . 4.3 t -131.68 12.88 4.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER 34.67 80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.567 HD13 ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -46.86 111.14 1.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 144.37 30.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.5 t70 -58.41 -53.28 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.0 pt-20 -38.32 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -104.05 -39.26 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.72 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -2.8 42.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -10.9 13.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 63' ' ' THR . 22.3 pt -84.07 -52.79 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 64' ' ' THR . 4.7 p 40.88 26.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 63' ' ' THR . 40.7 p -156.84 166.77 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 11' ' ' ILE . 39.4 t -85.95 -25.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.0 tp-100 -70.79 -51.82 24.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 62' ' ' ILE . . . -50.76 -33.92 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -70.15 -24.66 63.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' GLN . 89.5 mt -86.28 -50.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.76 -21.46 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CE2' HG23 ' A' ' 52' ' ' THR . 3.1 t80 -80.16 -42.83 22.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 52' ' ' THR . 1.5 mm -71.01 -24.82 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.99 -35.8 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.43 19.72 38.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.8 t60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.579 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -76.18 -52.69 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.54 -24.04 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -97.23 -33.12 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 2.7 t -46.6 -43.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.17 -45.36 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLN . 64.0 mttt -59.52 -53.55 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.531 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 68.8 mt -46.66 -50.67 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.473 HG23 ' CG2' ' A' ' 65' ' ' VAL . 11.8 mm -73.12 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -74.45 -23.59 75.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -105.9 -51.12 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 32.0 mm-40 -51.7 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 28' ' ' PHE . 3.5 mt -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.73 4.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.85 -167.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -175.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -123.94 -42.84 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.71 -30.13 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.24 -27.42 32.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -73.03 115.7 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.5 p -87.29 178.07 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLN . 5.8 p30 -91.16 -43.16 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.62 -12.59 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 123.95 8.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' PHE . 3.8 m -99.83 58.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.649 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.3 p90 -38.63 159.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.649 ' CG2' ' CD2' ' A' ' 28' ' ' PHE . 2.8 t 85.31 -47.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.371 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -104.69 -24.71 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -108.68 -87.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -45.74 -94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.78 99.39 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.09 86.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.04 38.49 3.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -152.52 -57.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.51 44.86 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CG ' ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -78.89 -48.98 13.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 6.7 t -113.06 -55.62 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 39' ' ' THR . 44.1 t -39.62 -33.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -91.31 -58.89 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.597 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.4 tt -40.3 -42.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' GLU . 38.9 t -50.44 -64.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 22.0 mmt -44.98 -55.61 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.76 -69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.597 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 18.4 mt -48.81 -24.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.97 -54.97 5.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -33.26 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' A' ' 50' ' ' PHE . 15.2 tp10 -54.39 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 3.6 m-30 -112.09 41.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 29.5 m-20 37.19 60.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.7 OUTLIER -123.41 98.46 5.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 19.8 pt-20 -66.51 145.99 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -129.67 94.31 32.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.5 Cg_endo -75.0 145.01 30.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 2.8 p-10 -38.25 -54.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.0 pt-20 -37.52 -41.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -99.01 -23.89 15.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -65.06 -32.47 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' THR . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -93.32 1.21 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.6 OUTLIER -115.11 18.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.6 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 82.0 p -33.91 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.3 p -105.24 161.98 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 11' ' ' ILE . 49.3 t -68.76 -51.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ASN . 12.9 tp60 -42.16 -54.67 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' TYR . . . -44.05 -48.65 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . . . -39.63 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 74.8 mt -82.04 -49.4 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.1 t0 -62.53 -13.99 36.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.2 t80 -88.52 -54.64 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.44 ' CG2' HD11 ' A' ' 3' ' ' ILE . 4.5 mm -64.72 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -84.84 -33.26 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.21 14.42 60.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.605 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.6 pp20? -72.27 -24.92 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -79.59 -26.79 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . 0.906 ' NH2' ' HE2' ' A' ' 49' ' ' GLU . 8.4 mtp85 -93.42 -42.15 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' CG1' ' A' ' 69' ' ' ILE . 4.9 t -43.42 -49.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -42.5 -37.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.4 ttpt -67.67 -52.96 31.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 41.6 mt -48.88 -23.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.533 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.1 mm -100.33 -27.67 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' ' CG2' ' A' ' 17' ' ' VAL . . . -96.86 16.35 61.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' LYS . 19.0 mm-40 -135.37 -45.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.44 -65.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.3 mt -48.22 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 128.93 77.6 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 32' ' ' LEU . 16.4 m -157.54 160.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.68 177.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.15 -39.95 14.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -42.34 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -40.42 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.42 130.13 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -136.21 -141.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -104.01 -45.54 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 17.8 p-10 -100.24 45.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.5 110.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 80.74 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 29' ' ' VAL . 2.8 p90 -37.69 -37.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.426 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -39.7 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' ASP . 7.4 tm-20 -69.08 -60.43 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.8 m-20 -38.25 -63.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 17' ' ' VAL . 1.8 mt -96.51 -112.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -177.25 90.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.63 64.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.7 20.71 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 109.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.32 29.23 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 9.7 t0 -78.39 -95.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -60.24 -41.44 93.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.91 -90.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.47 -46.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.612 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -37.06 -37.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.534 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 61.8 t -63.01 -68.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mmt -34.87 -54.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.545 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.0 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 10' ' ' ILE . 24.1 mt -44.3 -26.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.38 -52.88 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -34.66 78.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.906 ' HE2' ' NH2' ' A' ' 6' ' ' ARG . 18.6 tp10 -46.94 -59.8 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -131.03 -66.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.7 m-20 156.76 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' ILE . 12.4 t -175.29 99.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 1.5 pt-20 -65.67 66.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.534 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -49.35 105.76 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.432 ' N ' HD11 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.4 p30 -58.66 -47.38 84.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -45.35 -32.62 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.13 -21.79 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.483 ' CA ' HD12 ' A' ' 62' ' ' ILE . . . -98.62 18.08 17.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tt0 -104.11 -36.94 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -76.88 -0.98 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' ' CG2' ' A' ' 63' ' ' THR . 10.0 pt -79.8 -55.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.57 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 8.9 t 50.61 20.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 63' ' ' THR . 2.7 p -161.05 -173.45 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.444 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 11' ' ' ILE . 94.9 t -94.19 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.4 tt0 -39.38 -52.81 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 62' ' ' ILE . . . -46.49 -49.62 18.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -29.4 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.549 ' CG1' ' CG1' ' A' ' 7' ' ' VAL . 82.3 mt -80.59 -66.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -42.31 -28.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' ILE . 5.0 t80 -79.5 -44.11 21.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 3' ' ' ILE . 4.6 mm -63.03 -27.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.7 -41.88 29.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.82 -18.82 41.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.619 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.9 pt-20 -66.55 -42.92 86.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.86 -21.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -103.08 -32.94 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 69' ' ' ILE . 54.4 t -52.86 -53.32 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -45.97 -43.2 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -62.23 -48.39 80.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.463 HG21 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -51.5 -51.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ILE . . . . . 0.475 ' CG2' ' HG ' ' A' ' 15' ' ' LEU . 20.8 mm -72.72 -27.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.52 -25.32 72.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -104.0 -55.81 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 11.9 mm100 -46.9 -64.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD1' ' CG ' ' A' ' 28' ' ' PHE . 1.4 mt -60.49 -45.76 92.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.5 53.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -172.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -83.08 178.59 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.2 3.86 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.53 -32.67 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 5.86 28.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.64 75.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.5 p -78.19 175.48 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.78 -43.56 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.86 50.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.55 95.56 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.45 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -74.32 77.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CG ' ' CD1' ' A' ' 15' ' ' LEU . 9.1 p90 -39.65 -36.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.02 -69.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -100.24 -48.37 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.255 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 27' ' ' SER . 4.7 m-20 -39.01 -67.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.2 mt -87.0 -86.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.65 97.68 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.73 94.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.83 24.04 7.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 27.36 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -85.33 -40.14 16.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 1.1 m -105.09 -69.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 85.1 t -33.28 -65.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -57.71 -57.38 13.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -39.42 -40.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' A' ' 47' ' ' GLU . 6.2 t -53.55 -72.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' MET . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' VAL . 2.3 mmt -32.73 -53.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.463 ' CB ' HG21 ' A' ' 10' ' ' ILE . . . -57.71 -68.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 38.4 mt -51.16 -25.5 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' VAL . 28.4 mt-10 -73.34 -53.15 11.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -31.79 26.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.51 ' O ' ' C ' ' A' ' 51' ' ' ASP . 32.5 m-85 -114.85 43.17 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' GLU . 38.2 m-20 32.06 56.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 12.2 t -100.9 -148.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' THR . 2.1 pt-20 -178.89 66.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -46.45 104.41 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.01 144.59 30.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ALA . 60.3 t0 -44.42 -53.2 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -107.86 -22.66 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -66.14 -29.63 69.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.24 -8.54 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -7.58 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 2.8 pt -110.46 17.63 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 65.1 p -35.78 -33.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.1 p -105.03 165.06 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 11' ' ' ILE . 44.8 t -69.98 -46.09 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.58 -54.29 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -56.92 -47.62 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.25 -21.92 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.5 mp -92.91 -47.74 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -68.25 -9.23 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -89.72 -57.18 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 3' ' ' ILE . 4.3 mm -60.39 -17.5 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.48 -33.9 15.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.33 12.33 60.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.476 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 31.1 p -85.08 49.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.477 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.3 OUTLIER -114.78 -50.87 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.4 pt-20 -77.28 -52.93 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.476 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 2.6 pt-20 -46.92 -24.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -97.0 -33.09 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 6.5 t -50.47 -55.34 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' CG ' ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.02 -46.27 11.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' GLY . 12.9 tttt -58.49 -55.26 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 14' ' ' GLN . 39.3 mt -44.22 -51.68 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.511 HG23 ' CE2' ' A' ' 28' ' ' PHE . 13.0 mm -72.33 -27.01 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.63 -20.03 79.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -111.81 -59.09 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 10' ' ' ILE . 9.0 mm100 -40.2 -65.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.564 HD12 ' CD2' ' A' ' 28' ' ' PHE . 1.5 mt -57.53 -29.66 64.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 88.14 83.88 1.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 35.0 m -152.86 -169.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -87.38 175.23 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.42 57.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.93 -44.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.33 -8.63 48.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' CG ' ' A' ' 8' ' ' LYS . 8.5 t -73.44 121.56 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 p -118.87 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -134.99 32.84 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -177.31 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -145.82 117.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.9 m -67.28 69.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.673 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 4.3 m-85 -33.16 -51.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.498 ' CG2' ' HB ' ' A' ' 63' ' ' THR . 0.1 OUTLIER -38.83 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.436 ' O ' ' C ' ' A' ' 31' ' ' ASP . 6.7 tm-20 -70.05 -55.43 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' SER . 21.2 t0 -37.78 -65.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -86.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.32 96.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -140.03 77.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.64 30.25 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.3 m -155.45 -52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.83 44.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.425 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 1.3 t70 -88.5 -85.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.517 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 5.3 t -78.36 -49.51 13.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 39' ' ' THR . 72.0 t -38.92 -30.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -101.07 -61.91 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.545 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -40.05 -46.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.517 ' CG2' ' O ' ' A' ' 39' ' ' THR . 51.6 t -49.02 -65.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mtp -45.06 -53.41 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.455 ' HB3' ' CG2' ' A' ' 10' ' ' ILE . . . -57.3 -69.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.522 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 40.2 mt -49.81 -22.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.89 -51.28 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.8 -27.37 63.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.6 m-85 -155.74 -82.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.07 97.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 52' ' ' THR . 14.8 t -171.42 94.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -64.84 74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.51 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.52 105.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.44 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -74.98 145.0 31.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.409 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -46.43 -42.44 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -37.81 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.86 -15.9 19.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -71.72 -29.0 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -68.27 -8.39 39.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.35 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -14.34 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.456 ' O ' ' N ' ' A' ' 64' ' ' THR . 3.4 pt -105.58 18.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.498 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 77.3 p -35.37 -34.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.8 p -90.86 -144.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.673 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 3.9 t -120.72 -44.67 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.5 tt0 -51.39 -51.75 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.447 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -50.87 -36.83 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -65.82 -22.01 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 HG12 ' CB ' ' A' ' 4' ' ' GLU . 1.3 mp -88.0 -58.62 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -56.03 -18.56 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.402 ' OH ' ' OG1' ' A' ' 52' ' ' THR . 2.3 t80 -81.03 -46.45 15.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.413 ' CG2' HD12 ' A' ' 3' ' ' ILE . 2.5 mm -72.56 -19.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.78 -32.43 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.17 -10.45 59.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -52.02 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.02 77.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -90.11 31.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.471 HD11 ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -112.05 -48.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.484 ' CB ' HG12 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -66.13 -20.37 66.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.73 -24.78 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -104.35 -21.16 13.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' HD11 ' A' ' 3' ' ' ILE . 59.4 t -63.11 -41.42 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.24 -38.89 59.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLN . 6.4 mtmp? -60.29 -49.99 75.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.458 ' CG2' ' HB1' ' A' ' 45' ' ' ALA . 62.3 mt -49.07 -53.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.481 ' CG2' HG21 ' A' ' 65' ' ' VAL . 35.5 mm -71.29 -26.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.88 -25.21 72.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mm100 -104.75 -57.06 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' ILE . 27.1 mm-40 -42.01 -64.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.489 HD12 ' CG ' ' A' ' 28' ' ' PHE . 3.3 mt -63.84 -25.22 68.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.31 60.95 2.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 32.7 m -127.47 -173.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -83.88 179.43 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.89 -12.88 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -98.14 -25.32 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.22 6.95 30.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 t -114.83 136.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -142.99 174.82 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.0 p30 -92.58 74.66 5.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 2.9 p30 162.21 -28.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.77 150.44 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -119.65 79.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 63' ' ' THR . 3.1 p90 -41.59 -35.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -37.61 -80.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.85 -41.94 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 27.5 t0 -40.33 -59.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 2.2 mp -101.84 -108.57 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.93 80.53 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.49 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . . . -98.6 57.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.19 19.34 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -158.08 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.06 31.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.49 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -75.84 -81.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 39' ' ' THR . 0.7 OUTLIER -88.99 18.63 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -108.97 -43.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.43 -42.39 17.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 2.2 tt -47.74 -39.2 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.508 ' O ' ' N ' ' A' ' 47' ' ' GLU . 24.9 t -55.95 -67.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.7 mmt -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.458 ' HB1' ' CG2' ' A' ' 10' ' ' ILE . . . -56.34 -69.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 15.3 mt -49.23 -23.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -78.84 -52.73 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -34.81 72.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -50.41 -42.07 53.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.3 m-85 -147.73 -74.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.36 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 54' ' ' ILE . 12.8 t -171.89 93.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 70.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.504 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -45.5 103.61 0.35 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -75.02 144.47 30.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -45.86 -40.52 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.35 -40.82 68.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -96.65 -8.47 31.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -83.54 -8.96 59.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.38 -17.91 57.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.12 -11.67 30.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' A' ' 64' ' ' THR . 3.1 pt -103.12 16.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.61 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 0.4 OUTLIER -36.73 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.479 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.4 p -107.47 165.86 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 110.375 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.481 HG21 ' CG2' ' A' ' 11' ' ' ILE . 42.3 t -66.98 -50.45 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -47.8 -54.23 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -56.38 -19.09 13.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' CB ' ' O ' ' A' ' 65' ' ' VAL . . . -79.66 1.39 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.484 HG12 ' CB ' ' A' ' 4' ' ' GLU . 3.3 mp -109.51 -66.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -46.13 -25.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 69' ' ' ILE . 2.9 t80 -78.38 -40.24 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' ILE . 11.8 mm -70.24 -33.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -82.5 -28.29 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.1 10.87 61.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -128.56 -53.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.609 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -101.06 88.0 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -86.02 12.08 10.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.482 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -102.04 -52.42 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.5 pt-20 -52.44 -36.56 54.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 6.5 pt-20 -66.81 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 36.2 mtp180 -84.69 -6.54 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.461 ' CG1' HG13 ' A' ' 69' ' ' ILE . 25.3 t -83.15 -34.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 mmtp -62.45 -38.43 89.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 5.8 pttt -66.81 -42.89 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.527 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 79.7 mt -59.45 -53.19 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 ' CG2' ' HG ' ' A' ' 15' ' ' LEU . 15.2 mm -72.11 -24.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -75.29 -25.45 68.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.02 -53.2 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' CG ' ' HB3' ' A' ' 45' ' ' ALA . 28.9 mm-40 -48.16 -64.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.562 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -65.78 -43.04 89.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.29 66.35 0.76 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.2 t -135.59 178.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -89.31 176.16 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -95.32 4.21 53.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -39.55 4.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.5 -20.99 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.7 t -81.51 111.87 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.433 ' C ' ' NZ ' ' A' ' 8' ' ' LYS . 13.6 p -119.93 176.29 5.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -63.8 -45.13 91.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.22 55.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -110.1 90.38 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.451 ' O ' ' N ' ' A' ' 31' ' ' ASP . 5.5 t -70.21 61.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.948 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.652 ' CD1' ' N ' ' A' ' 29' ' ' VAL . 20.1 p90 -35.57 -41.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.652 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -43.43 -69.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -91.06 -52.34 4.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -40.7 -61.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.445 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.3 mp -97.37 -102.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.94 93.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.76 88.99 1.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.35 20.61 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 -80.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.19 29.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.492 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 3.2 p-10 -83.75 -50.52 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 2.5 t -95.9 -32.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' VAL . 55.3 t -66.19 -83.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' VAL . 6.0 mt-10 -37.86 -48.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.554 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 5.0 tt -41.79 -47.91 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' GLU . 22.6 t -46.93 -75.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 46.0 mtt -36.18 -53.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.527 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -57.04 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.554 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 17.9 mt -49.31 -23.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.1 mm-40 -79.23 -52.28 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -35.15 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -43.15 64.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -145.13 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.3 m-20 156.57 99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.47 ' O ' ' N ' ' A' ' 54' ' ' ILE . 8.7 t -172.93 94.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 5.3 pt-20 -63.66 75.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.47 ' N ' ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -57.16 109.38 1.69 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.46 34.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.414 ' O ' ' N ' ' A' ' 60' ' ' GLU . 21.9 t70 -56.45 -34.96 67.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -54.7 -35.23 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -10.17 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -106.29 12.58 29.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.9 tp10 -103.92 -19.24 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -94.73 6.62 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.483 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 8.9 pt -92.49 -56.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 64' ' ' THR . 11.3 p 46.54 22.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.512 ' CG2' ' O ' ' A' ' 63' ' ' THR . 28.0 p -157.79 176.18 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.443 ' CG2' HG21 ' A' ' 11' ' ' ILE . 42.2 t -86.5 -53.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 69' ' ' ILE . 18.1 tp60 -40.44 -54.18 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.483 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -47.21 -49.21 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -55.32 -30.58 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.461 HG13 ' CG1' ' A' ' 7' ' ' VAL . 7.8 mt -81.73 -56.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -20.05 8.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -84.92 -49.85 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.44 ' CG2' HD12 ' A' ' 3' ' ' ILE . 17.0 mm -59.2 -23.92 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.47 -34.48 15.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.3 19.95 32.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -119.76 -61.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.82 131.65 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -90.67 31.81 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.462 ' CD1' HG22 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -121.49 -42.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 3.0 tt0 -68.93 -52.76 25.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.4 -28.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.6 mtp85 -92.8 -51.24 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 5.7 t -43.16 -37.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.9 -43.83 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ARG . 19.6 mttt -57.18 -52.24 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 52.6 mt -46.27 -52.06 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.465 HG23 ' CG2' ' A' ' 65' ' ' VAL . 10.9 mm -72.63 -27.61 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.0 -25.27 75.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.8 mm100 -105.04 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' NE2' ' HA ' ' A' ' 14' ' ' GLN . 27.6 mm-40 -40.87 -64.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.534 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -63.32 -51.77 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 106.84 76.39 1.0 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 15.9 m -155.17 -179.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 175.33 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -96.16 -6.18 38.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.35 -43.62 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -25.43 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.477 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 1.5 p -87.1 113.47 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.2 p -129.44 -162.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -84.5 -48.14 9.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -98.39 55.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -133.02 91.35 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 78.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 63' ' ' THR . 4.3 p90 -38.57 -37.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.454 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -39.65 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 31' ' ' ASP . 7.3 tm-20 -74.06 -53.98 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -39.81 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -89.05 -107.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.28 85.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.47 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . . . -108.55 61.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.73 24.07 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 t -174.21 113.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 72.49 24.23 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' CB ' ' HB2' ' A' ' 34' ' ' ALA . 15.9 p-10 -74.65 -50.78 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -102.48 -60.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 74.7 t -33.67 -57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -65.55 -58.5 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.512 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -40.8 -39.85 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 39' ' ' THR . 22.0 t -52.11 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -52.5 26.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.537 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.3 -65.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.472 HD13 ' CD2' ' A' ' 42' ' ' LEU . 13.1 mt -52.46 -21.52 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -81.01 -51.66 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -34.8 78.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -42.27 -44.19 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.71 -73.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 2.7 p-10 168.02 91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 8.1 t -175.54 105.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 8.3 pt-20 -74.76 110.45 9.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.492 HG23 ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -58.39 112.19 4.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.427 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 144.26 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -44.78 -61.63 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.7 mm-40 -38.69 -29.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.515 ' O ' ' CG2' ' A' ' 62' ' ' ILE . 0.1 OUTLIER -96.73 -38.82 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 39' ' ' THR . . . -47.69 -30.02 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.05 -40.26 12.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -71.0 -8.69 55.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.515 ' CG2' ' O ' ' A' ' 58' ' ' GLU . 9.9 pt -103.42 20.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 t -36.97 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.8 p -104.69 164.21 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 ' CG2' HG23 ' A' ' 11' ' ' ILE . 61.8 t -70.5 -48.52 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.449 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 1.3 tt0 -39.47 -54.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.477 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -49.78 -44.43 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -57.67 -23.31 50.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.491 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 9.1 mt -87.06 -42.72 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -17.17 62.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.436 ' HH ' ' N ' ' A' ' 54' ' ' ILE . 0.4 OUTLIER -83.04 -48.77 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.462 HG22 ' CD1' ' A' ' 3' ' ' ILE . 5.1 mm -65.04 -30.0 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.408 ' ND2' HG23 ' A' ' 3' ' ' ILE . 6.8 m-20 -80.38 -35.98 34.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.0 22.6 21.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -96.32 -51.73 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.637 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.54 -63.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -92.07 32.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -116.3 -51.08 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 11.5 pt-20 -62.84 -52.21 64.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.5 pt-20 -42.95 -32.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -86.92 -40.21 15.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 69' ' ' ILE . 37.7 t -47.63 -46.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -52.74 -38.24 60.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.04 -52.99 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.536 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 36.7 mt -48.5 -55.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.476 HG21 ' CD1' ' A' ' 15' ' ' LEU . 11.2 mm -69.6 -26.09 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.71 -25.04 73.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.155 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.8 mm-40 -105.12 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 13.3 mm-40 -43.12 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.522 ' CD1' ' CD1' ' A' ' 28' ' ' PHE . 1.8 mt -55.3 -57.51 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.41 60.06 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG23 ' CG2' ' A' ' 22' ' ' VAL . 16.8 m -140.18 -173.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -174.5 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.68 -53.08 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.59 -45.2 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.73 -50.08 66.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' HG23 ' A' ' 17' ' ' VAL . 70.8 t -56.14 138.42 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 62.1 p -133.54 172.43 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -91.27 39.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.41 37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -125.79 129.08 48.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' PHE . 3.4 m -93.33 76.41 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.522 ' CD1' ' CD1' ' A' ' 15' ' ' LEU . 8.4 p90 -35.25 -40.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.5 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -40.08 -75.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.2 OUTLIER -79.2 -59.19 2.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.43 -70.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.458 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.1 mt -84.34 -104.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.22 91.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -142.14 79.95 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.13 45.04 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.94 -74.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -92.63 30.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.44 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.6 t0 -67.58 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 1.4 m -76.39 -59.23 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' THR . 5.3 t -30.87 -60.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -65.31 -60.5 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.53 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -38.08 -42.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 39' ' ' THR . 26.3 t -49.66 -66.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -55.51 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.536 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.1 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.464 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 16.5 mt -51.86 -21.85 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.48 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -81.47 -53.08 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -34.96 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -62.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -128.63 -66.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 2.1 m-20 157.48 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 10.2 t -168.92 108.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.381 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.48 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 6.3 pt-20 -73.33 94.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.579 HG12 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -39.69 120.58 1.41 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 144.68 30.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.431 ' C ' ' N ' ' A' ' 58' ' ' GLU . 34.5 t0 -65.18 -56.76 11.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.431 ' N ' ' C ' ' A' ' 56' ' ' ASP . 0.1 OUTLIER -100.45 -41.63 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -57.28 -17.57 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -10.93 21.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -99.98 -14.89 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 9.7 pt -74.99 -56.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.545 ' O ' ' CG2' ' A' ' 64' ' ' THR . 14.9 p 48.56 18.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.545 ' CG2' ' O ' ' A' ' 63' ' ' THR . 20.3 p -159.16 -170.01 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.455 ' CG2' HG22 ' A' ' 11' ' ' ILE . 43.9 t -96.05 -54.49 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.444 ' O ' ' N ' ' A' ' 69' ' ' ILE . 14.6 tp60 -38.13 -53.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -49.06 -47.75 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -54.97 -22.55 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 7' ' ' VAL . 14.8 mt -92.7 -53.9 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -23.33 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' HG12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -83.51 -47.38 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.488 HG12 ' CD2' ' A' ' 71' ' ' TYR . 7.2 mm -68.67 -16.65 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.07 -30.12 18.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 -2.81 67.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -72.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 58.89 82.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -90.34 27.12 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.485 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -114.37 -51.77 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.485 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 17.5 pt-20 -58.35 -33.57 69.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.93 -39.15 93.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -82.47 -29.99 30.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.432 ' CG2' HD12 ' A' ' 3' ' ' ILE . 11.9 t -55.83 -39.48 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' GLY . 17.9 mmtp -53.0 -37.13 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 tttt -64.25 -51.45 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 73.7 mt -48.67 -51.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.432 HG21 ' CG2' ' A' ' 65' ' ' VAL . 33.6 mm -72.4 -30.28 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.74 -24.74 76.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.95 -58.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 26.9 mm-40 -42.32 -65.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.449 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.7 mt -65.76 -32.29 73.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 72.19 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.85 162.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 13.3 mptt -71.86 177.14 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 20' ' ' GLU . 8.6 pt20 -84.8 -43.32 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 18.1 mt-10 -62.82 -44.1 97.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -23.44 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.2 t -83.9 117.62 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -128.29 148.06 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -82.26 75.92 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 176.77 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.473 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -49.11 141.13 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 7.5 m -96.68 60.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.57 ' CD1' HG21 ' A' ' 65' ' ' VAL . 35.3 m-85 -41.89 164.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.508 ' CG2' ' C ' ' A' ' 28' ' ' PHE . 2.4 t 83.49 -50.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -102.35 -60.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.473 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -42.56 -91.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.09 97.77 0.12 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -151.47 75.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -123.71 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -157.48 -70.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 33.98 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.41 ' CG ' ' N ' ' A' ' 39' ' ' THR . 4.0 t0 -79.63 -90.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.508 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 10.2 t -70.05 -53.52 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.449 ' C ' ' O ' ' A' ' 39' ' ' THR . 50.2 t -36.28 -35.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.2 OUTLIER -97.1 -60.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.532 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -40.47 -46.93 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.508 ' CG2' ' O ' ' A' ' 39' ' ' THR . 48.8 t -47.21 -65.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.2 mmt -47.29 -52.53 15.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.79 -70.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 23.0 mt -49.2 -23.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -77.95 -51.02 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -41.35 80.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.6 -34.49 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 5.2 m-85 -143.52 -83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER 156.18 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 54' ' ' ILE . 11.2 t -160.17 96.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.0 75.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.501 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.25 107.31 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.2 Cg_endo -74.97 145.07 31.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.443 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 4.9 p-10 -45.35 -51.18 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.75 -38.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.96 -22.6 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.448 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -64.99 -20.68 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -77.93 -45.42 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -60.0 -15.62 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.423 ' C ' ' N ' ' A' ' 64' ' ' THR . 11.1 pt -109.98 31.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -41.39 -28.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.423 ' N ' ' C ' ' A' ' 62' ' ' ILE . 62.5 p -91.78 -158.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.57 HG21 ' CD1' ' A' ' 28' ' ' PHE . 79.7 t -108.76 -46.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.0 tp-100 -46.87 -54.0 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -46.66 -49.46 19.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -45.91 -28.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.412 HG23 ' CB ' ' A' ' 4' ' ' GLU . 6.5 mt -86.36 -58.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -49.14 -28.05 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 2.9 t80 -81.58 -36.62 28.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.448 ' CD1' HG21 ' A' ' 52' ' ' THR . 1.6 mm -73.01 -21.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -84.97 -27.99 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.16 -1.52 63.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -129.07 37.82 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.43 68.51 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.481 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 17.5 p -85.94 47.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.5 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -113.74 -51.87 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.476 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 23.1 pt-20 -73.7 -52.19 14.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.481 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -49.08 -25.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -93.37 -37.32 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 38.3 t -51.33 -40.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 32.5 mmtm -51.19 -44.27 61.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.0 mttm -60.0 -58.47 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.537 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 3.3 mt -42.01 -55.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.544 ' CG2' ' CD2' ' A' ' 28' ' ' PHE . 16.8 mm -68.85 -29.93 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -70.09 -24.12 76.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' LYS . 6.8 mm-40 -105.91 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.464 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 30.3 mm-40 -38.39 -68.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 28' ' ' PHE . 1.7 mt -54.69 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.06 69.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.436 HG21 ' CE2' ' A' ' 28' ' ' PHE . 26.8 m -143.96 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -178.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.74 3.83 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -39.62 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -66.54 -25.51 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 ' CG1' ' HD2' ' A' ' 8' ' ' LYS . 4.9 t -55.96 120.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.0 p -106.31 -165.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -126.01 37.18 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -178.84 38.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.97 136.77 52.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -75.44 118.8 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.639 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 3.4 m-85 -94.97 1.83 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.464 ' CG2' ' HA ' ' A' ' 63' ' ' THR . 2.1 t -108.04 -40.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -88.48 -74.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.21 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -53.18 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.43 100.79 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -136.75 77.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.37 44.19 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -171.56 -70.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 30.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.422 ' CG ' ' N ' ' A' ' 39' ' ' THR . 4.4 t0 -71.59 -88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.518 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 15.2 t -80.4 -48.99 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 98.5 t -37.33 -32.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -99.91 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.521 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.5 OUTLIER -39.66 -46.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.518 ' CG2' ' O ' ' A' ' 39' ' ' THR . 48.2 t -47.52 -73.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' VAL . 31.5 mtt -37.32 -54.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.537 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.15 -70.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.423 HD11 ' CD2' ' A' ' 42' ' ' LEU . 36.0 mt -48.28 -23.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.1 -53.27 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.93 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -54.55 -37.35 65.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -145.96 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.4 m-20 159.34 93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.533 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.6 OUTLIER -169.76 94.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 77.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.495 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.93 109.72 1.61 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.469 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.01 144.58 30.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.4 p-10 -54.01 -47.58 71.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -22.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -19.82 12.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -99.05 11.96 37.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 57.8 tt0 -103.67 -24.27 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 -7.06 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.467 ' HB ' ' CB ' ' A' ' 67' ' ' ALA . 12.3 pt -77.05 -55.46 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.504 ' O ' ' CG2' ' A' ' 64' ' ' THR . 44.6 p 41.09 27.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.504 ' CG2' ' O ' ' A' ' 63' ' ' THR . 38.9 p -156.86 173.55 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.639 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 2.8 t -89.45 -41.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.8 tp-100 -54.75 -53.77 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.467 ' CB ' ' HB ' ' A' ' 62' ' ' ILE . . . -41.19 -59.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -42.94 -40.29 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 HG13 ' CG1' ' A' ' 7' ' ' VAL . 9.6 mt -76.09 -60.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.05 -24.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.435 ' N ' ' O ' ' A' ' 67' ' ' ALA . 2.8 t80 -84.39 -51.99 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CG2' HD13 ' A' ' 3' ' ' ILE . 3.7 mm -57.96 -33.07 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.71 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.09 3.69 85.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -139.76 45.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.68 84.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.413 HG22 ' NH2' ' A' ' 6' ' ' ARG . 3.3 p -117.69 21.7 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.476 HD13 ' CG2' ' A' ' 72' ' ' ILE . 0.0 OUTLIER -121.62 -51.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.0 pt-20 -60.95 -12.81 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 8.5 pt-20 -101.33 -40.9 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.413 ' NH2' HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -75.61 -30.8 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' CG2' ' CD1' ' A' ' 3' ' ' ILE . 2.3 t -54.08 -48.81 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 18.4 mmtt -47.18 -44.1 21.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.3 mttm -63.09 -52.18 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 54.8 mt -47.84 -50.99 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.477 ' CG2' ' HG ' ' A' ' 15' ' ' LEU . 2.5 mm -73.11 -29.07 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.89 -24.9 76.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.7 mm100 -105.36 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.474 ' CG ' ' HB3' ' A' ' 45' ' ' ALA . 90.1 mm-40 -40.74 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.645 ' CD1' ' CG ' ' A' ' 28' ' ' PHE . 1.0 OUTLIER -60.99 -41.14 95.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.458 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 98.15 77.44 1.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.458 ' CG1' ' O ' ' A' ' 16' ' ' GLY . 30.2 m -156.64 -172.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 3.7 mppt? -89.91 175.14 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -94.74 -49.63 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -24.01 66.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -56.74 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' C ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -59.59 151.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 24' ' ' ASN . 10.4 p -148.3 -137.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' N ' ' OG1' ' A' ' 23' ' ' THR . 0.8 OUTLIER -111.09 -53.43 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -72.37 -11.73 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.94 120.95 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.6 m -99.16 82.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.645 ' CG ' ' CD1' ' A' ' 15' ' ' LEU . 11.8 p90 -39.74 -36.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.551 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.78 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.54 -40.61 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' SER . 16.0 t70 -39.91 -42.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -117.08 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 157.12 99.73 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 38' ' ' ASP . . . -166.76 92.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.72 21.93 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -71.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 23.49 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.474 ' HB3' ' CB ' ' A' ' 34' ' ' ALA . 1.3 p-10 -75.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -85.4 -56.84 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.439 ' O ' ' N ' ' A' ' 43' ' ' VAL . 21.0 t -41.25 -83.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.418 ' O ' ' C ' ' A' ' 42' ' ' LEU . 3.5 mt-10 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -39.12 -40.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.516 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 26.9 t -54.06 -72.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' VAL . 22.5 mtt -35.6 -52.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.84 -72.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.48 ' CD1' HD23 ' A' ' 42' ' ' LEU . 11.7 mt -46.94 -24.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.49 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.6 OUTLIER -75.49 -53.54 8.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.79 78.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.2 tp10 -44.07 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -125.36 -62.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.8 m-20 155.41 97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.487 ' O ' ' N ' ' A' ' 54' ' ' ILE . 12.0 t -175.25 100.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.49 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -67.24 62.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.572 HD12 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -43.26 104.72 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.421 ' N ' HD11 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 147.16 33.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.52 ' O ' ' N ' ' A' ' 60' ' ' GLU . 0.9 OUTLIER -54.69 -46.24 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.94 -28.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.437 ' N ' ' C ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -112.91 -21.67 11.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -87.24 -0.68 57.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -104.69 -33.03 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.65 -2.95 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.463 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 9.8 pt -81.25 -56.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.525 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.2 p 62.74 7.98 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.525 ' CG2' ' O ' ' A' ' 63' ' ' THR . 17.6 p -158.8 179.04 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.476 ' CG2' HG23 ' A' ' 11' ' ' ILE . 42.7 t -84.98 -40.1 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -49.72 -53.78 22.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.463 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -58.86 -16.34 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -88.58 -27.04 21.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 HG23 ' CB ' ' A' ' 4' ' ' GLU . 82.2 mt -87.91 -61.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -22.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.572 ' CE2' HD12 ' A' ' 54' ' ' ILE . 1.5 t80 -79.39 -46.77 16.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.476 ' CG2' HD13 ' A' ' 3' ' ' ILE . 25.9 mm -74.31 -12.66 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -98.34 -32.49 11.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.0 2.96 87.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -107.25 -65.42 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -59.22 120.23 8.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -76.13 0.79 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.437 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.48 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -92.46 -51.07 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.48 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.3 pp20? -50.55 -35.34 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.13 -21.99 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 60.2 mtp85 -95.46 -27.91 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.413 ' CG2' HD11 ' A' ' 3' ' ' ILE . 55.8 t -60.43 -38.72 78.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -55.06 -38.13 67.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 mtmt -63.96 -57.8 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.509 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 43.6 mt -45.61 -51.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.468 HG13 ' CG1' ' A' ' 65' ' ' VAL . 26.5 mm -71.87 -26.7 25.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.73 -25.2 74.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.38 -53.99 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 24.4 mm-40 -48.44 -64.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.582 HD12 ' CD2' ' A' ' 28' ' ' PHE . 6.5 mt -54.43 -59.52 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.08 53.12 0.36 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 1.7 t -129.74 -173.68 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -101.36 179.8 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.01 60.37 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -159.3 -46.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -86.06 10.45 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 2.7 t -109.81 96.5 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.459 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 81.8 p -108.71 -168.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -86.52 -43.94 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -93.13 34.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.459 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -111.4 84.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 28' ' ' PHE . 1.5 m -69.16 69.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.582 ' CD2' HD12 ' A' ' 15' ' ' LEU . 21.2 p90 -36.27 -34.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 17.3 t -36.35 -74.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -98.41 -40.45 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -44.16 -64.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -94.53 -84.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 162.17 99.34 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -155.26 88.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.79 15.06 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.46 ' N ' ' OD1' ' A' ' 38' ' ' ASP . 5.0 m -117.8 -69.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' CD2' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -101.15 27.41 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.92 -90.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.47 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 7.9 p -58.63 -57.48 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.415 HG13 ' N ' ' A' ' 41' ' ' GLU . 70.4 t -38.99 -87.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -38.39 -53.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.592 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.9 tt -42.23 -52.5 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.499 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 39.0 t -44.47 -69.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -49.04 11.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.509 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -58.75 -69.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.592 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 49.9 mt -51.18 -22.16 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -79.48 -50.0 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -34.75 72.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 1.2 tp10 -61.52 -28.41 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 1.1 m-85 -152.69 -80.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 156.07 94.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.475 ' O ' ' N ' ' A' ' 54' ' ' ILE . 9.4 t -163.94 94.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.48 71.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.6 105.33 0.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.456 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.06 144.73 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 22.9 t0 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.3 -41.97 63.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.52 -10.13 25.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -75.81 -25.11 56.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' ' CG2' ' A' ' 63' ' ' THR . 0.0 OUTLIER -76.66 -20.93 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 3.34 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.1 pt -124.49 26.85 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 60' ' ' GLU . 58.7 p -35.58 -44.63 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 62' ' ' ILE . 21.4 p -90.49 167.97 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' HG13 ' A' ' 11' ' ' ILE . 50.5 t -71.65 -54.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.426 ' HA ' ' CD1' ' A' ' 69' ' ' ILE . 1.4 tt0 -37.19 -54.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -47.84 -49.64 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.446 ' N ' ' O ' ' A' ' 65' ' ' VAL . . . -47.2 -26.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CD1' ' HA ' ' A' ' 66' ' ' GLN . 7.1 mt -85.87 -60.82 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -21.52 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' ALA . 3.9 t80 -81.16 -42.89 20.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.5 mm -70.56 -25.86 27.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -87.48 -31.22 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.54 13.46 55.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -105.67 -63.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.57 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -43.62 126.58 4.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.456 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 61.7 p -90.97 40.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.502 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.2 OUTLIER -115.72 -52.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 3.3 pt-20 -68.1 -36.56 79.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 5.7 pt-20 -74.51 -21.85 59.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -93.01 -33.66 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 25.3 t -46.92 -45.43 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -46.92 -41.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.6 tttt -64.58 -53.16 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.514 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 45.9 mt -47.5 -50.51 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.447 HG13 ' CG1' ' A' ' 65' ' ' VAL . 2.9 mm -72.86 -31.9 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -68.64 -25.19 75.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.5 mm-40 -103.67 -59.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.423 ' NE2' ' HB3' ' A' ' 45' ' ' ALA . 13.3 mm100 -41.79 -64.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -64.59 -28.49 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.29 72.71 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.43 ' HB ' ' CG2' ' A' ' 22' ' ' VAL . 2.2 t -137.69 171.08 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -76.94 175.04 9.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.9 51.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.3 -50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 ' CG2' ' HB ' ' A' ' 17' ' ' VAL . 30.3 t -68.35 80.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.9 p -93.26 -159.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -92.97 -45.02 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -97.68 49.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -109.54 121.8 46.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -99.74 75.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.472 ' CE2' ' C ' ' A' ' 64' ' ' THR . 1.2 p90 -37.8 -38.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -40.08 -79.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -78.62 -56.79 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.07 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -94.09 -112.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -172.09 87.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 28' ' ' PHE . . . -83.43 50.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.99 43.34 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER 178.37 118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 ' CB ' ' HB2' ' A' ' 41' ' ' GLU . 0.0 OUTLIER 43.04 28.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.424 ' N ' ' C ' ' A' ' 36' ' ' SER . 0.1 OUTLIER -63.07 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.21 -48.96 14.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.6 -71.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -52.14 -54.28 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.555 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -38.99 -45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.487 ' O ' ' N ' ' A' ' 47' ' ' GLU . 20.5 t -47.45 -64.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.3 mmt -45.33 -55.44 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.514 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.12 -67.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 35.3 mt -50.02 -23.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.06 -52.92 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -35.61 74.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -52.51 -20.53 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -169.63 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.89 94.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.485 ' O ' ' CG2' ' A' ' 52' ' ' THR . 13.3 t -167.82 88.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.422 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -63.3 76.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.565 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -57.63 109.68 1.95 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.411 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 144.71 30.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.6 p-10 -53.86 -45.87 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.45 -33.61 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.17 -18.17 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.603 ' O ' ' CG2' ' A' ' 62' ' ' ILE . . . -82.86 -57.41 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -39.28 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.76 40.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.603 ' CG2' ' O ' ' A' ' 59' ' ' ALA . 7.2 pt -125.79 -55.82 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.542 ' O ' ' CG2' ' A' ' 64' ' ' THR . 11.4 p 49.72 18.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.542 ' CG2' ' O ' ' A' ' 63' ' ' THR . 12.0 p -159.84 174.82 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 11' ' ' ILE . 23.3 t -87.11 -46.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.7 tt0 -47.01 -52.91 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.459 ' O ' ' CB ' ' A' ' 71' ' ' TYR . . . -43.07 -29.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.405 ' N ' ' C ' ' A' ' 66' ' ' GLN . . . -78.45 -44.33 24.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' N ' ' O ' ' A' ' 66' ' ' GLN . 87.7 mt -68.15 -51.7 45.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.33 -20.6 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -81.94 -48.3 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.456 ' CD1' HG21 ' A' ' 52' ' ' THR . 16.0 mm -62.34 -23.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -88.57 -32.08 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.42 16.01 51.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.68 -56.72 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.38 123.66 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.39 12.4 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.419 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.488 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -98.97 -52.22 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 18.8 pt-20 -54.99 -49.45 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.3 pt-20 -49.28 -36.4 20.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -85.0 -29.26 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.471 ' CG2' HD12 ' A' ' 3' ' ' ILE . 36.4 t -58.18 -38.45 68.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -52.39 -37.93 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLN . 17.5 mttt -61.43 -51.58 68.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.533 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -48.1 -52.18 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.47 ' CG2' HG21 ' A' ' 65' ' ' VAL . 41.6 mm -71.81 -28.72 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -71.46 -25.37 75.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.7 mm-40 -104.08 -56.9 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 38.5 mm-40 -42.9 -64.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 28' ' ' PHE . 6.8 mt -57.4 -74.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.94 49.54 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.84 -173.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.43 175.59 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 2.6 tm0? -101.05 -35.38 9.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.36 -33.81 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -76.46 -45.85 29.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.39 130.79 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 72.4 p -137.86 164.93 27.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 10.6 p-10 -78.75 73.06 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 175.73 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.31 164.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -125.97 76.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . 4.4 p90 -38.52 -36.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.86 -87.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.416 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.8 OUTLIER -95.48 -39.56 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 27' ' ' SER . 4.7 t70 -39.25 -58.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.63 -76.87 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 158.94 100.19 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.44 85.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.764 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.08 26.85 7.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -138.81 -80.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.412 ' CD2' ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.19 32.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.466 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 13.6 t0 -70.61 -69.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.529 ' O ' ' C ' ' A' ' 40' ' ' VAL . 1.0 OUTLIER -87.93 -61.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.8 t -29.16 -52.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.412 ' OE2' ' CD2' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.92 -61.81 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.603 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.85 -40.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 39' ' ' THR . 21.6 t -49.01 -65.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.4 mtp -46.04 -52.71 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.533 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.6 -63.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.603 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 21.3 mt -54.37 -20.3 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.469 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 1.2 mm-40 -83.0 -51.54 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.52 78.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -41.48 -61.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -130.86 -68.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 1.5 m-20 161.66 90.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.2 t -177.71 115.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.469 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -80.01 105.85 11.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.48 HG23 ' CG2' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -51.8 112.45 3.21 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' N ' HD11 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.94 144.58 30.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLU . 27.9 t0 -46.55 -61.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -40.17 -28.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -94.56 -48.83 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' CD1' ' A' ' 54' ' ' ILE . . . -40.51 -38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.93 -39.75 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLU . 2.0 mttm -69.19 -8.74 48.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.478 ' O ' ' N ' ' A' ' 64' ' ' THR . 24.0 pt -111.33 28.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.582 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -37.44 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.3 p -108.15 168.01 9.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.47 HG21 ' CG2' ' A' ' 11' ' ' ILE . 47.4 t -72.21 -45.45 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . 9.9 tp60 -35.87 -54.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . . . -55.92 -52.54 63.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 67' ' ' ALA . . . -38.77 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 2.8 mp -83.71 -52.91 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' ALA . 30.1 t70 -55.81 -18.94 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -87.19 -53.14 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.423 ' CD1' HD23 ' A' ' 46' ' ' LEU . 3.9 mm -58.42 -39.15 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.79 -30.68 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.66 60.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.2 50.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 0.789 . . . . 0.0 109.622 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -131.91 158.7 40.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -86.69 43.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.506 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -116.77 -52.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.506 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 17.9 pt-20 -67.27 -19.5 65.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.77 -25.59 65.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 8.2 mtp85 -102.34 -29.35 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.466 ' CG1' HG13 ' A' ' 69' ' ' ILE . 77.4 t -55.25 -46.6 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -49.51 -43.67 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -55.7 24.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.54 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 47.4 mt -44.56 -51.49 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 15' ' ' LEU . 16.3 mm -72.27 -30.6 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -67.98 -20.26 72.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -112.51 -60.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 10' ' ' ILE . 33.9 mm-40 -37.84 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.577 HD13 ' CD2' ' A' ' 28' ' ' PHE . 3.4 mt -57.47 -46.28 83.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.46 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 103.64 90.38 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' ' O ' ' A' ' 16' ' ' GLY . 29.5 m -156.46 -169.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -178.61 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.54 34.27 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.24 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -69.12 -7.67 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.475 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 2.9 t -73.18 79.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.49 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 12.0 p -83.88 -139.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -121.22 -63.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -67.08 -11.23 56.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.49 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -53.31 106.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 2.2 m -83.35 80.2 9.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.59 ' CE1' ' CG2' ' A' ' 65' ' ' VAL . 7.2 m-85 -39.54 -42.4 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.479 HG21 ' CA ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -39.98 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -75.17 -51.67 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' SER . 7.0 t70 -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.56 HD11 ' CD2' ' A' ' 28' ' ' PHE . 2.3 mt -99.59 -102.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 176.48 92.18 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.402 ' O ' ' CG ' ' A' ' 38' ' ' ASP . . . -86.08 50.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.57 36.61 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -175.64 117.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' N ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER 39.19 42.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.509 ' O ' ' CD2' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.3 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.469 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 70.5 p -67.7 -52.61 35.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 60.9 t -38.26 -79.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.75 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD2' HG21 ' A' ' 54' ' ' ILE . 1.2 tt -43.17 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.512 ' O ' ' N ' ' A' ' 47' ' ' GLU . 12.7 t -54.23 -62.52 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 25.2 mmt -47.99 -54.75 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.54 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.57 -65.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 42' ' ' LEU . 12.0 mt -53.92 -20.61 6.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.512 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -80.61 -50.53 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -34.33 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 0.0 OUTLIER -75.62 -75.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.527 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -85.05 -51.62 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.1 t70 84.29 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -135.58 9.86 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CG ' ' C ' ' A' ' 52' ' ' THR . 1.5 pt-20 39.18 75.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.482 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -64.46 111.89 6.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.448 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 144.59 30.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 60' ' ' GLU . 17.3 t70 -54.18 -34.27 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.42 -32.08 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -109.47 -6.05 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.41 ' CB ' HG13 ' A' ' 54' ' ' ILE . . . -106.39 4.4 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ASP . 24.6 tt0 -102.05 -35.45 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.81 1.86 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.458 ' CG1' ' N ' ' A' ' 63' ' ' THR . 8.5 pt -78.6 -55.62 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.53 ' O ' ' CG2' ' A' ' 64' ' ' THR . 8.3 p 46.99 22.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.7 p -158.04 172.64 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.59 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 21.6 t -89.51 -35.78 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.469 ' O ' ' N ' ' A' ' 69' ' ' ILE . 15.7 tp60 -58.14 -53.31 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.457 ' CB ' ' HB ' ' A' ' 62' ' ' ILE . . . -39.92 -54.86 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.443 ' HB1' ' CD1' ' A' ' 46' ' ' LEU . . . -46.11 -44.6 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.469 ' N ' ' O ' ' A' ' 66' ' ' GLN . 5.4 mt -69.22 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.82 -26.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.415 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.0 t80 -83.44 -47.7 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.463 HG22 ' CE2' ' A' ' 50' ' ' PHE . 17.6 mm -58.09 -23.35 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -88.72 -51.39 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.53 -26.03 4.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -66.63 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.27 81.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.617 ' OG1' ' CD ' ' A' ' 6' ' ' ARG . 10.6 t -82.63 49.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.517 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -108.98 -52.67 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.517 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 10.1 pt-20 -77.48 -46.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.492 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.3 pt-20 -62.74 -21.57 65.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.617 ' CD ' ' OG1' ' A' ' 2' ' ' THR . 48.9 mtp180 -99.51 -20.45 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 1.8 t -62.32 -40.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.475 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.4 OUTLIER -53.94 -32.36 53.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -60.35 -55.32 35.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.488 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 11.9 mt -44.94 -53.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.458 HG21 ' CG2' ' A' ' 65' ' ' VAL . 20.8 mm -71.03 -25.8 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.67 -25.24 72.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.6 mm-40 -105.33 -57.71 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.448 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 13.2 mm100 -42.47 -64.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.528 HD11 ' CG ' ' A' ' 28' ' ' PHE . 2.1 mt -55.76 -65.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.94 60.72 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -137.27 167.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 175.0 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 14.26 20.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.34 -35.99 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -79.37 -15.91 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG11 ' CG ' ' A' ' 8' ' ' LYS . 14.4 t -92.09 130.88 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 p -149.3 174.5 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.8 p-10 -89.08 75.33 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.4 p-10 162.55 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 148.25 43.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -116.26 80.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.528 ' CG ' HD11 ' A' ' 15' ' ' LEU . 6.9 p90 -40.31 -35.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.497 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.83 -82.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 31' ' ' ASP . 12.2 tm-20 -93.62 -42.01 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 31.1 t0 -40.26 -61.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mt -98.73 -84.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 164.4 98.81 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -156.61 89.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -123.22 31.67 5.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 t -144.4 -72.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 29.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 2.2 t0 -72.43 -83.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.498 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -76.81 -54.64 6.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' THR . 27.4 t -36.78 -67.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -56.75 -55.95 27.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 0.8 OUTLIER -39.47 -46.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.545 ' O ' ' N ' ' A' ' 47' ' ' GLU . 21.5 t -47.69 -61.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 6.9 mtt -46.35 -55.94 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.488 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.87 -65.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.57 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 36.4 mt -54.05 -20.12 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -81.83 -50.17 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -34.39 64.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -72.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 72' ' ' ILE . 3.8 m-30 -94.31 -48.18 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t70 85.18 82.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.5 ' CG2' ' OH ' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -141.15 13.23 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.3 pt-20 35.3 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.499 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.05 113.63 37.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.461 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.95 145.52 31.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLU . 6.0 p-10 -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -26.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -22.54 12.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -95.18 12.04 30.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -100.8 -21.54 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -16.74 35.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.48 ' CG2' ' HB1' ' A' ' 67' ' ' ALA . 10.3 pt -76.97 -56.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.528 ' O ' ' CG2' ' A' ' 64' ' ' THR . 1.6 t 43.79 24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' THR . 31.7 p -157.82 177.65 11.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.458 ' CG2' HG21 ' A' ' 11' ' ' ILE . 11.7 t -87.06 -51.4 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -45.49 -53.2 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.48 ' HB1' ' CG2' ' A' ' 62' ' ' ILE . . . -52.61 -35.06 53.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -64.47 -11.97 39.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.464 HG12 ' CG1' ' A' ' 7' ' ' VAL . 30.4 mt -97.05 -47.55 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.28 -21.81 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.602 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.0 OUTLIER -83.46 -50.43 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.577 HG12 ' CE2' ' A' ' 71' ' ' TYR . 2.2 mm -60.07 -27.12 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.78 -36.15 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.62 -16.16 28.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -122.16 53.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -142.81 70.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.3 p -80.55 5.7 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -91.41 -51.55 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' HB2' ' CG2' ' A' ' 69' ' ' ILE . 1.2 tm-20 -54.69 -57.48 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -43.41 -30.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -90.83 -33.84 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.45 ' CG2' HD11 ' A' ' 3' ' ' ILE . 53.9 t -56.16 -41.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.2 mmtp -53.66 -33.44 55.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -62.14 -49.9 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 ' O ' ' N ' ' A' ' 14' ' ' GLN . 68.3 mt -53.64 -61.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.403 HG22 ' CG2' ' A' ' 65' ' ' VAL . 23.6 mm -63.12 -23.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -81.64 -17.55 70.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.0 mm100 -112.78 -64.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 6.7 mm-40 -36.96 -64.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 ' CD1' ' CD2' ' A' ' 28' ' ' PHE . 1.6 mt -55.49 -70.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.47 62.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -143.59 -175.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 1.3 mppt? -86.74 179.19 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -104.6 43.21 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -142.81 -50.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -59.35 -38.33 80.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 89.9 t -65.59 118.55 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.45 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 43.3 p -123.77 176.04 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -72.81 -38.61 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -100.02 51.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -140.68 107.69 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -80.2 74.15 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.606 ' CD1' HG23 ' A' ' 65' ' ' VAL . 20.8 p90 -33.06 -38.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.8 t -39.43 -63.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' ASP . 2.6 tm-20 -104.81 -51.12 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -37.04 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -80.88 -107.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.95 83.62 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' HB2' ' CB ' ' A' ' 38' ' ' ASP . . . -141.42 82.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.95 40.85 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.473 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.36 33.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 7.3 p-10 -78.24 -50.93 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -101.83 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.442 ' C ' ' O ' ' A' ' 39' ' ' THR . 13.2 t -36.75 -59.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -62.78 -58.43 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.57 ' C ' ' CD2' ' A' ' 42' ' ' LEU . 0.7 OUTLIER -39.8 -43.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.542 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 33.3 t -50.54 -66.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtt -43.56 -53.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HB2' ' CG2' ' A' ' 10' ' ' ILE . . . -55.95 -71.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.53 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 45.3 mt -47.42 -24.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -76.14 -52.4 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -35.84 81.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -28.9 56.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -156.22 -82.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.58 92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.503 ' O ' ' CG2' ' A' ' 52' ' ' THR . 15.2 t -164.68 90.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.406 ' HA ' ' CD ' ' A' ' 47' ' ' GLU . 2.8 pt-20 -65.19 73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.542 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.4 OUTLIER -50.33 106.5 0.65 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.03 161.62 38.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.421 ' O ' ' N ' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -56.82 -53.08 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.2 pt-20 -44.29 -35.19 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.479 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 0.5 OUTLIER -95.86 -22.25 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.507 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -67.14 -10.69 52.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -85.98 -36.03 20.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.488 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.5 pt -101.44 21.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -33.69 -36.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.44 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.6 p -108.1 166.27 10.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.606 HG23 ' CD1' ' A' ' 28' ' ' PHE . 42.7 t -69.61 -45.62 77.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -38.32 -54.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.488 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -53.22 -51.52 61.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.407 ' C ' ' O ' ' A' ' 67' ' ' ALA . . . -40.11 -29.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.502 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 29.1 mt -83.7 -67.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -25.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.492 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 4.9 t80 -77.17 -44.72 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.431 ' CD1' HG22 ' A' ' 52' ' ' THR . 5.3 mm -67.79 -26.51 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.49 -36.99 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.87 -19.8 23.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -94.72 -62.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.17 84.67 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -84.38 10.56 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.487 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.0 OUTLIER -98.84 -51.78 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 25.2 pt-20 -54.73 -48.65 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -50.57 -38.2 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -82.1 -31.41 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 69' ' ' ILE . 17.8 t -56.67 -36.55 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -54.85 -32.42 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -51.88 52.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.469 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 78.9 mt -49.9 -54.33 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.48 ' CG2' HD13 ' A' ' 15' ' ' LEU . 11.5 mm -70.46 -30.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -64.67 -25.25 70.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -60.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 20.0 mm-40 -40.53 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.569 HD13 ' CD2' ' A' ' 28' ' ' PHE . 5.3 mt -45.82 -54.44 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 111.12 79.97 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.463 HG22 ' CG2' ' A' ' 22' ' ' VAL . 29.2 m -151.22 -168.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -177.63 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -120.08 63.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.62 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.9 -8.84 52.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.463 ' CG2' HG22 ' A' ' 17' ' ' VAL . 3.2 t -73.48 135.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.462 ' OG1' ' CB ' ' A' ' 26' ' ' ALA . 65.8 p -128.59 -174.23 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -91.45 -49.4 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -90.93 48.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' CB ' ' OG1' ' A' ' 23' ' ' THR . . . -111.22 101.36 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 28' ' ' PHE . 71.9 m -75.3 70.6 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.569 ' CD2' HD13 ' A' ' 15' ' ' LEU . 5.4 m-85 -33.48 -49.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG2' ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -35.66 -65.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -88.86 -60.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 1.5 m-20 -38.36 -59.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -105.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.19 95.68 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.82 51.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.64 44.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER 174.61 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 38.12 43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.448 ' CG ' ' N ' ' A' ' 39' ' ' THR . 4.0 t0 -73.39 -88.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.521 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 7.9 t -71.45 -53.98 12.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.489 ' C ' ' O ' ' A' ' 39' ' ' THR . 57.5 t -33.74 -65.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 1.1 mp0 -60.59 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.588 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 4.7 tt -38.44 -47.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.568 ' O ' ' N ' ' A' ' 47' ' ' GLU . 38.2 t -47.44 -74.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 26.7 mmt -35.98 -57.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.06 -73.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.588 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 23.3 mt -44.98 -26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -73.72 -55.61 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -32.33 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -135.01 34.97 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.7 t0 51.92 86.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.7 OUTLIER -155.72 94.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.513 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -62.2 147.83 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.49 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.2 OUTLIER -132.85 96.08 18.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.1 Cg_endo -74.98 145.77 31.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.453 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 17.7 p-10 -38.64 -53.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.1 tp10 -37.98 -42.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.445 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -98.77 -22.54 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.459 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -67.18 -26.45 66.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.6 tm-20 -70.99 -6.58 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -7.05 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 2.8 pt -108.57 15.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.473 ' HB ' ' CG2' ' A' ' 29' ' ' VAL . 61.6 p -35.65 -34.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.1 p -96.39 154.62 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.567 HG22 ' CE1' ' A' ' 28' ' ' PHE . 11.8 t -67.31 -38.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.3 tt0 -53.56 -54.07 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 71' ' ' TYR . . . -47.4 -42.55 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.41 ' HB3' ' CD1' ' A' ' 46' ' ' LEU . . . -59.4 -34.39 72.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.477 HG13 ' CG1' ' A' ' 7' ' ' VAL . 1.7 mt -72.45 -57.69 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -15.25 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 15.8 t80 -82.06 -47.23 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 5.4 mm -67.81 -22.06 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -90.52 -31.09 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.26 13.5 54.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.39 -63.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 64.63 -90.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.23 9.77 14.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.504 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -98.85 -52.19 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 20.3 pt-20 -53.44 -47.39 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -53.53 -35.09 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.7 -23.78 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.446 ' CG2' HD12 ' A' ' 3' ' ' ILE . 41.1 t -64.05 -37.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.46 ' HD2' ' CG1' ' A' ' 22' ' ' VAL . 19.1 mmtp -58.16 -28.35 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -72.5 -56.59 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.515 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 74.7 mt -49.42 -68.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.531 HG22 ' CE2' ' A' ' 28' ' ' PHE . 13.8 mm -44.81 -29.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.84 -90.23 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -37.54 -40.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 10.0 mm100 -66.3 -86.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.411 ' N ' ' CD2' ' A' ' 15' ' ' LEU . 2.5 mt -50.17 -60.88 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 114.89 83.05 1.09 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.562 HG21 ' CE2' ' A' ' 28' ' ' PHE . 1.8 t -141.09 166.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.404 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -84.51 175.05 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -5.38 59.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -114.82 4.11 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -121.35 8.18 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.46 ' CG1' ' HD2' ' A' ' 8' ' ' LYS . 24.7 t -111.91 97.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 81.1 p -111.34 -166.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -99.39 -32.47 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -108.52 49.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -115.43 104.23 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' PHE . 4.5 m -71.25 68.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.576 ' CD1' ' CD1' ' A' ' 32' ' ' LEU . 2.9 m-85 -34.64 -45.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.474 HG23 ' CA ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -40.4 -71.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 10.7 tm-20 -78.86 -63.04 1.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -38.5 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.576 ' CD1' ' CD1' ' A' ' 28' ' ' PHE . 2.5 mt -94.98 -111.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.84 83.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -86.73 50.47 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.06 33.16 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.02 117.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.53 26.9 14.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.458 ' HB2' ' CB ' ' A' ' 34' ' ' ALA . 3.1 t0 -71.95 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.5 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 1.2 m -67.79 -56.25 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' THR . 66.3 t -38.22 -85.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' VAL . 2.0 mt-10 -38.08 -53.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.479 ' CD2' HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -46.51 -53.55 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.5 ' CG2' ' O ' ' A' ' 39' ' ' THR . 21.9 t -41.6 -74.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 mmt -43.15 -52.35 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.515 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -54.96 -72.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.479 HD12 ' CD2' ' A' ' 42' ' ' LEU . 19.1 mt -47.5 -24.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.84 -51.3 11.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -42.32 76.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -42.58 -54.32 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -131.36 -74.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 155.8 98.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.52 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.3 OUTLIER -177.83 100.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 130.82 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.576 ' HB ' ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -111.8 108.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.479 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.4 Cg_endo -74.96 144.68 30.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.9 p-10 -51.36 -46.88 62.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.83 -21.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -17.41 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.479 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -102.19 12.0 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.3 tt0 -102.79 -38.44 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -73.93 -4.66 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.489 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 8.8 pt -71.66 -57.38 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.474 ' CA ' HG23 ' A' ' 29' ' ' VAL . 12.2 p 46.85 21.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.464 ' CG2' ' O ' ' A' ' 63' ' ' THR . 67.5 p -155.43 -176.62 6.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.574 ' CG2' ' CE1' ' A' ' 28' ' ' PHE . 88.6 t -98.58 -37.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.475 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.4 tt0 -54.21 -52.9 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.489 ' HB2' ' CG2' ' A' ' 62' ' ' ILE . . . -38.67 -59.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -44.72 -44.33 9.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.475 ' N ' ' O ' ' A' ' 66' ' ' GLN . 6.6 mt -67.86 -67.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -26.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.576 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 9.2 t80 -78.03 -42.57 32.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 69' ' ' ILE . 20.1 mm -72.15 -26.06 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -88.83 -30.7 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.95 8.43 70.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -110.83 -75.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.564 ' OG1' ' CD ' ' A' ' 6' ' ' ARG . 10.4 t -91.79 60.92 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 7' ' ' VAL . 0.3 OUTLIER -111.93 -51.81 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.8 pt-20 -90.16 -50.98 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -47.85 -30.62 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' CD ' ' OG1' ' A' ' 2' ' ' THR . 25.4 mtp85 -87.52 -39.37 15.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.511 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 2.7 t -41.53 -57.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.75 -40.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -67.62 -48.25 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.551 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 50.0 mt -51.57 -39.47 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.491 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 20.4 mm -85.06 -23.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' HA2' ' CG2' ' A' ' 17' ' ' VAL . . . -98.66 17.14 58.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.6 mm100 -135.65 -49.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.416 ' NE2' ' HG3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -70.01 -66.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.565 HD11 ' CE1' ' A' ' 28' ' ' PHE . 2.3 mt -42.52 -55.94 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.49 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 118.47 77.62 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.49 ' CG1' ' O ' ' A' ' 16' ' ' GLY . 18.8 m -158.33 -176.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 176.23 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -107.96 50.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.03 -46.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 61.5 t -88.14 106.03 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.299 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -110.18 -170.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.54 26.14 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.51 30.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -105.51 102.76 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ASP . 15.9 m -64.47 76.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.565 ' CE1' HD11 ' A' ' 15' ' ' LEU . 1.3 t80 -35.83 -41.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' PHE . 0.5 OUTLIER -39.83 -77.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' O ' ' C ' ' A' ' 31' ' ' ASP . 1.1 tm-20 -91.07 -46.14 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.457 ' N ' ' O ' ' A' ' 27' ' ' SER . 34.7 t70 -39.07 -64.42 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -97.36 -96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.147 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.405 ' CB ' ' HB2' ' A' ' 38' ' ' ASP . . . -106.05 57.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.77 24.27 13.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -176.16 115.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER 68.54 20.21 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.47 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 5.3 t0 -64.08 -85.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.51 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 27.0 p -76.5 -59.92 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.3 t -32.48 -69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.416 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -57.06 -56.41 22.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' CD2' ' CD1' ' A' ' 11' ' ' ILE . 1.2 tm? -39.5 -46.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.51 ' CG2' ' O ' ' A' ' 39' ' ' THR . 15.3 t -42.46 -60.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mmt -52.56 -50.32 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.551 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -56.31 -71.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.475 ' HG ' ' CD2' ' A' ' 42' ' ' LEU . 9.9 mt -47.99 -24.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.5 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -77.57 -54.34 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -33.92 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.7 -89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -92.58 -34.11 14.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.9 t70 86.51 80.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.567 HG23 ' CE2' ' A' ' 71' ' ' TYR . 4.3 t -131.68 12.88 4.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.5 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER 34.67 80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.567 HD13 ' CE2' ' A' ' 71' ' ' TYR . 0.2 OUTLIER -46.86 111.14 1.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.478 ' HD2' ' CD1' ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 144.37 30.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' O ' ' N ' ' A' ' 58' ' ' GLU . 1.5 t70 -58.41 -53.28 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.0 pt-20 -38.32 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.0 OUTLIER -104.05 -39.26 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -58.15 -26.72 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -2.8 42.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -10.9 13.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.477 HG13 ' N ' ' A' ' 63' ' ' THR . 22.3 pt -84.07 -52.79 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.506 ' O ' ' CG2' ' A' ' 64' ' ' THR . 4.7 p 40.88 26.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.506 ' CG2' ' O ' ' A' ' 63' ' ' THR . 40.7 p -156.84 166.77 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' HG13 ' A' ' 11' ' ' ILE . 39.4 t -85.95 -25.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.0 tp-100 -70.79 -51.82 24.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' HB3' ' CG2' ' A' ' 62' ' ' ILE . . . -50.76 -33.92 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.419 ' O ' ' CG1' ' A' ' 72' ' ' ILE . . . -70.15 -24.66 63.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.457 ' N ' ' O ' ' A' ' 66' ' ' GLN . 89.5 mt -86.28 -50.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.76 -21.46 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.567 ' CE2' HG23 ' A' ' 52' ' ' THR . 3.1 t80 -80.16 -42.83 22.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.443 HD13 ' CG2' ' A' ' 52' ' ' THR . 1.5 mm -71.01 -24.82 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.99 -35.8 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.43 19.72 38.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -88.91 -48.12 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -88.47 93.92 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.478 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 47.4 p -89.14 45.85 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.2 OUTLIER -111.5 -51.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -76.18 -52.69 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.478 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.8 pt-20 -50.54 -24.04 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -97.23 -33.12 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.485 ' CG2' ' O ' ' A' ' 3' ' ' ILE . 2.7 t -46.6 -43.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.17 -45.36 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLN . 64.0 mttt -59.52 -53.55 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.531 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 68.8 mt -46.66 -50.67 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.473 HG23 ' CG2' ' A' ' 65' ' ' VAL . 11.8 mm -73.12 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -74.45 -23.59 75.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -105.9 -51.12 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 32.0 mm-40 -51.7 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.578 HD12 ' CD2' ' A' ' 28' ' ' PHE . 3.5 mt -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.73 4.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.85 -167.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -175.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -123.94 -42.84 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.71 -30.13 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.24 -27.42 32.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -73.03 115.7 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.5 p -87.29 178.07 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLN . 5.8 p30 -91.16 -43.16 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.62 -12.59 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -49.76 123.95 8.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.4 ' O ' ' O ' ' A' ' 28' ' ' PHE . 3.8 m -99.83 58.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.649 ' CD2' ' CG2' ' A' ' 29' ' ' VAL . 2.3 p90 -38.63 159.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.649 ' CG2' ' CD2' ' A' ' 28' ' ' PHE . 2.8 t 85.31 -47.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.371 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -104.69 -24.71 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -108.68 -87.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.408 ' O ' ' O ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -45.74 -94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.78 99.39 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.09 86.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.04 38.49 3.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.5 t -152.52 -57.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -118.51 44.86 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CG ' ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -78.89 -48.98 13.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.505 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 6.7 t -113.06 -55.62 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.415 ' N ' ' CG2' ' A' ' 39' ' ' THR . 44.1 t -39.62 -33.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -91.31 -58.89 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.597 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.4 tt -40.3 -42.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.511 ' O ' ' N ' ' A' ' 47' ' ' GLU . 38.9 t -50.44 -64.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.419 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 22.0 mmt -44.98 -55.61 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.531 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.76 -69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.597 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 18.4 mt -48.81 -24.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.97 -54.97 5.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -33.26 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' A' ' 50' ' ' PHE . 15.2 tp10 -54.39 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 3.6 m-30 -112.09 41.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 29.5 m-20 37.19 60.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.421 ' O ' ' CG2' ' A' ' 52' ' ' THR . 0.7 OUTLIER -123.41 98.46 5.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.504 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 19.8 pt-20 -66.51 145.99 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.474 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.1 OUTLIER -129.67 94.31 32.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.5 Cg_endo -75.0 145.01 30.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' HA ' ' CB ' ' A' ' 59' ' ' ALA . 2.8 p-10 -38.25 -54.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.0 pt-20 -37.52 -41.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -99.01 -23.89 15.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.48 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -65.06 -32.47 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.498 ' O ' ' CG2' ' A' ' 63' ' ' THR . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -93.32 1.21 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.482 ' O ' ' N ' ' A' ' 64' ' ' THR . 0.6 OUTLIER -115.11 18.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.6 ' O ' ' CE1' ' A' ' 28' ' ' PHE . 82.0 p -33.91 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.482 ' N ' ' O ' ' A' ' 62' ' ' ILE . 1.3 p -105.24 161.98 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.473 ' CG2' HG23 ' A' ' 11' ' ' ILE . 49.3 t -68.76 -51.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ASN . 12.9 tp60 -42.16 -54.67 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' TYR . . . -44.05 -48.65 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' A' ' 67' ' ' ALA . . . -39.63 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.45 ' CG2' ' HB2' ' A' ' 4' ' ' GLU . 74.8 mt -82.04 -49.4 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.1 t0 -62.53 -13.99 36.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.2 t80 -88.52 -54.64 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.44 ' CG2' HD11 ' A' ' 3' ' ' ILE . 4.5 mm -64.72 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -84.84 -33.26 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.21 14.42 60.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -117.22 -63.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.74 143.21 51.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' SER . . . . . 0.401 ' O ' ' OG1' ' A' ' 2' ' ' THR . 4.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 1' ' ' SER . 8.5 p 52.97 19.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 4' ' ' GLU . 0.4 OUTLIER -142.97 -49.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.469 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 1.6 pp20? -72.27 -24.92 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -79.59 -26.79 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . 0.906 ' NH2' ' HE2' ' A' ' 49' ' ' GLU . 8.4 mtp85 -93.42 -42.15 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.549 ' CG1' ' CG1' ' A' ' 69' ' ' ILE . 4.9 t -43.42 -49.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -42.5 -37.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.4 ttpt -67.67 -52.96 31.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.545 ' CG2' ' CB ' ' A' ' 45' ' ' ALA . 41.6 mt -48.88 -23.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.533 ' CD1' HD21 ' A' ' 42' ' ' LEU . 8.1 mm -100.33 -27.67 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.447 ' HA2' ' CG2' ' A' ' 17' ' ' VAL . . . -96.86 16.35 61.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' LYS . 19.0 mm-40 -135.37 -45.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.437 ' NE2' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.44 -65.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.406 ' N ' HD21 ' A' ' 15' ' ' LEU . 2.3 mt -48.22 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.463 ' O ' ' CG1' ' A' ' 17' ' ' VAL . . . 128.93 77.6 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.467 HG12 ' CD2' ' A' ' 32' ' ' LEU . 16.4 m -157.54 160.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.68 177.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.15 -39.95 14.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -42.34 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -40.42 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.42 130.13 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -136.21 -141.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -104.01 -45.54 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 17.8 p-10 -100.24 45.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.5 110.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 3.3 m -85.87 80.74 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.426 ' CD1' ' N ' ' A' ' 29' ' ' VAL . 2.8 p90 -37.69 -37.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.426 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 0.1 OUTLIER -39.7 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.427 ' O ' ' C ' ' A' ' 31' ' ' ASP . 7.4 tm-20 -69.08 -60.43 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.8 m-20 -38.25 -63.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HG12 ' A' ' 17' ' ' VAL . 1.8 mt -96.51 -112.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -177.25 90.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -107.63 64.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.7 20.71 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 109.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.32 29.23 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.527 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 9.7 t0 -78.39 -95.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.443 ' N ' ' CG ' ' A' ' 38' ' ' ASP . 0.3 OUTLIER -60.24 -41.44 93.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.8 t -52.91 -90.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 42' ' ' LEU . 0.6 OUTLIER -38.47 -46.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.612 ' CD1' ' C ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -37.06 -37.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.534 ' HA ' ' CG2' ' A' ' 54' ' ' ILE . 61.8 t -63.01 -68.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mmt -34.87 -54.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.545 ' CB ' ' CG2' ' A' ' 10' ' ' ILE . . . -55.0 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.482 HD23 ' CD1' ' A' ' 10' ' ' ILE . 24.1 mt -44.3 -26.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.38 -52.88 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -34.66 78.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.906 ' HE2' ' NH2' ' A' ' 6' ' ' ARG . 18.6 tp10 -46.94 -59.8 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -131.03 -66.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.7 m-20 156.76 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 54' ' ' ILE . 12.4 t -175.29 99.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.421 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 1.5 pt-20 -65.67 66.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.534 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -49.35 105.76 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' N ' HD11 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.4 p30 -58.66 -47.38 84.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -45.35 -32.62 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.13 -21.79 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.483 ' CA ' HD12 ' A' ' 62' ' ' ILE . . . -98.62 18.08 17.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tt0 -104.11 -36.94 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -76.88 -0.98 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.57 ' O ' ' CG2' ' A' ' 63' ' ' THR . 10.0 pt -79.8 -55.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.57 ' CG2' ' O ' ' A' ' 62' ' ' ILE . 8.9 t 50.61 20.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.531 ' CG2' ' O ' ' A' ' 63' ' ' THR . 2.7 p -161.05 -173.45 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.444 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 11' ' ' ILE . 94.9 t -94.19 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.4 tt0 -39.38 -52.81 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.471 ' CB ' ' HB ' ' A' ' 62' ' ' ILE . . . -46.49 -49.62 18.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -29.4 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.549 ' CG1' ' CG1' ' A' ' 7' ' ' VAL . 82.3 mt -80.59 -66.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -42.31 -28.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.433 ' N ' ' C ' ' A' ' 69' ' ' ILE . 5.0 t80 -79.5 -44.11 21.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.466 HG21 ' CD1' ' A' ' 3' ' ' ILE . 4.6 mm -63.03 -27.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.7 -41.88 29.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.82 -18.82 41.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -62.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.619 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.66 111.48 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.6 p -90.28 35.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.471 HD13 ' CG2' ' A' ' 72' ' ' ILE . 0.3 OUTLIER -120.25 -47.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.9 pt-20 -66.55 -42.92 86.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.86 -21.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -103.08 -32.94 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 69' ' ' ILE . 54.4 t -52.86 -53.32 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -45.97 -43.2 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -62.23 -48.39 80.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.463 HG21 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -51.5 -51.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.475 ' CG2' ' HG ' ' A' ' 15' ' ' LEU . 20.8 mm -72.72 -27.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.52 -25.32 72.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -104.0 -55.81 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 11.9 mm100 -46.9 -64.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.552 ' CD1' ' CG ' ' A' ' 28' ' ' PHE . 1.4 mt -60.49 -45.76 92.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.5 53.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -172.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -83.08 178.59 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.2 3.86 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.53 -32.67 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 5.86 28.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.0 t -113.64 75.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 41.5 p -78.19 175.48 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.78 -43.56 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.86 50.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -122.55 95.56 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.45 ' N ' ' OD1' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -74.32 77.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PHE . . . . . 0.552 ' CG ' ' CD1' ' A' ' 15' ' ' LEU . 9.1 p90 -39.65 -36.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -38.02 -69.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.0 OUTLIER -100.24 -48.37 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.255 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 27' ' ' SER . 4.7 m-20 -39.01 -67.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.2 mt -87.0 -86.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.65 97.68 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.73 94.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.83 24.04 7.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 27.36 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.407 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -85.33 -40.14 16.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.486 ' O ' ' CG2' ' A' ' 43' ' ' VAL . 1.1 m -105.09 -69.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 85.1 t -33.28 -65.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -57.71 -57.38 13.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.503 ' CD2' ' CD1' ' A' ' 46' ' ' LEU . 1.0 OUTLIER -39.42 -40.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.558 ' O ' ' N ' ' A' ' 47' ' ' GLU . 6.2 t -53.55 -72.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' MET . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' VAL . 2.3 mmt -32.73 -53.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.463 ' CB ' HG21 ' A' ' 10' ' ' ILE . . . -57.71 -68.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . 0.503 ' CD1' ' CD2' ' A' ' 42' ' ' LEU . 38.4 mt -51.16 -25.5 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.558 ' N ' ' O ' ' A' ' 43' ' ' VAL . 28.4 mt-10 -73.34 -53.15 11.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -31.79 26.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.51 ' O ' ' C ' ' A' ' 51' ' ' ASP . 32.5 m-85 -114.85 43.17 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' GLU . 38.2 m-20 32.06 56.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.43 ' CG2' ' N ' ' A' ' 53' ' ' GLU . 12.2 t -100.9 -148.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . 0.43 ' N ' ' CG2' ' A' ' 52' ' ' THR . 2.1 pt-20 -178.89 66.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.497 ' CG2' ' HA ' ' A' ' 43' ' ' VAL . 0.3 OUTLIER -46.45 104.41 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.46 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.01 144.59 30.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 59' ' ' ALA . 60.3 t0 -44.42 -53.2 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . 0.442 ' HB3' ' CD1' ' A' ' 54' ' ' ILE . 0.0 OUTLIER -107.86 -22.66 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.46 ' N ' ' O ' ' A' ' 55' ' ' PRO . . . -66.14 -29.63 69.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -72.24 -8.54 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -7.58 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 2.8 pt -110.46 17.63 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' THR . . . . . 0.481 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 65.1 p -35.78 -33.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.1 p -105.03 165.06 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.461 ' CG2' HG23 ' A' ' 11' ' ' ILE . 44.8 t -69.98 -46.09 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.58 -54.29 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.476 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -56.92 -47.62 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.25 -21.92 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.5 mp -92.91 -47.74 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -68.25 -9.23 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -89.72 -57.18 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ILE . . . . . 0.471 ' CG2' HD13 ' A' ' 3' ' ' ILE . 4.3 mm -60.39 -17.5 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.48 -33.9 15.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.33 12.33 60.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.0 -50.89 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -40.07 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.981 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.4 pt-20 -77.28 -52.93 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.6 pt-20 -46.92 -24.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -97.0 -33.09 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 3' ' ' ILE . 6.5 t -50.47 -55.34 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HB3' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.02 -46.27 11.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' GLY . 12.9 tttt -58.49 -55.26 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 45' ' ' ALA . 39.3 mt -44.22 -51.68 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.014 HG13 HG13 ' A' ' 65' ' ' VAL . 13.0 mm -72.33 -27.01 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.63 -20.03 79.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -111.81 -59.09 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.497 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 9.4 mm-40 -40.2 -65.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 28' ' ' PHE . 1.5 mt -57.53 -29.66 64.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 88.14 83.88 1.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 35.0 m -152.86 -169.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -87.38 175.23 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.42 57.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.93 -44.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.33 -8.63 48.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.82 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 8.5 t -73.44 121.56 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 p -118.87 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -134.99 32.84 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -177.31 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -145.82 117.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.9 m -67.28 69.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.968 ' CD2' HD12 ' A' ' 15' ' ' LEU . 4.3 m-85 -33.16 -51.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -38.83 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 29' ' ' VAL . 6.7 tm-20 -70.05 -55.43 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' SER . 21.2 t0 -37.78 -65.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -86.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.32 96.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -140.03 77.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.64 30.25 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.754 ' HB3' HD23 ' A' ' 37' ' ' LEU . 1.3 m -155.45 -52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -115.83 44.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.669 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 1.3 t70 -88.5 -85.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.856 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.3 t -78.36 -49.51 13.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 39' ' ' THR . 72.0 t -38.92 -30.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -101.07 -61.91 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.968 HD21 HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -40.05 -46.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.08 HG22 HG23 ' A' ' 54' ' ' ILE . 51.6 t -49.02 -65.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mtp -45.06 -53.41 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.3 -69.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 HD21 ' A' ' 42' ' ' LEU . 40.2 mt -49.81 -22.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.89 -51.28 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.8 -27.37 63.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.6 m-85 -155.74 -82.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.07 97.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 52' ' ' THR . 14.8 t -171.42 94.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -64.84 74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.08 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.52 105.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.98 145.0 31.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.714 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -46.43 -42.44 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -37.81 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.86 -15.9 19.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -71.72 -29.0 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 3.9 tt0 -68.27 -8.39 39.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -14.34 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.676 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 3.4 pt -105.58 18.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 60' ' ' GLU . 77.3 p -35.37 -34.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.8 p -90.86 -144.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.014 HG13 HG13 ' A' ' 11' ' ' ILE . 3.9 t -120.72 -44.67 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.5 tt0 -51.39 -51.75 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -50.87 -36.83 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.532 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -65.82 -22.01 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.3 mp -88.0 -58.62 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -56.03 -18.56 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.03 -46.45 15.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 3' ' ' ILE . 2.5 mm -72.56 -19.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.78 -32.43 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.17 -10.45 59.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.625 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.52 ' HB3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -66.13 -20.37 66.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.73 -24.78 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -104.35 -21.16 13.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 3' ' ' ILE . 59.4 t -63.11 -41.42 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.24 -38.89 59.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLN . 6.4 mtmp? -60.29 -49.99 75.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.904 HD13 HD23 ' A' ' 46' ' ' LEU . 62.3 mt -49.07 -53.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.999 HG21 HG22 ' A' ' 65' ' ' VAL . 35.5 mm -71.29 -26.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.88 -25.21 72.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mm100 -104.75 -57.06 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' ILE . 27.1 mm-40 -42.01 -64.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.3 mt -63.84 -25.22 68.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.31 60.95 2.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 32.7 m -127.47 -173.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -83.88 179.43 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.89 -12.88 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -98.14 -25.32 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.22 6.95 30.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 8' ' ' LYS . 23.0 t -114.83 136.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -142.99 174.82 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 1.2 p-10 -92.58 74.66 5.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 2.9 p30 162.21 -28.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.77 150.44 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -119.65 79.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 63' ' ' THR . 3.1 p90 -41.59 -35.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.81 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -37.61 -80.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -95.85 -41.94 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 27.5 t0 -40.33 -59.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.2 mp -101.84 -108.57 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.93 80.53 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -98.6 57.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.19 19.34 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -158.08 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.06 31.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.786 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -75.84 -81.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.418 HG22 ' OD1' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -88.99 18.63 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -108.97 -43.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.43 -42.39 17.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 46' ' ' LEU . 2.2 tt -47.74 -39.2 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.688 HG22 HG23 ' A' ' 54' ' ' ILE . 24.9 t -55.95 -67.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.7 mmt -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.34 -69.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.008 HD12 HD21 ' A' ' 42' ' ' LEU . 15.3 mt -49.23 -23.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -78.84 -52.73 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -34.81 72.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -50.41 -42.07 53.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.3 m-85 -147.73 -74.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.36 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 52' ' ' THR . 12.8 t -171.89 93.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 70.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.688 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -45.5 103.61 0.35 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 144.47 30.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.9 t70 -45.86 -40.52 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.35 -40.82 68.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' C ' HD11 ' A' ' 54' ' ' ILE . 2.3 mt-10 -96.65 -8.47 31.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -83.54 -8.96 59.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.38 -17.91 57.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.12 -11.67 30.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.659 HD13 HG12 ' A' ' 54' ' ' ILE . 3.1 pt -103.12 16.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.614 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -36.73 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.4 p -107.47 165.86 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 110.375 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.999 HG22 HG21 ' A' ' 11' ' ' ILE . 42.3 t -66.98 -50.45 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HA ' HD13 ' A' ' 69' ' ' ILE . 1.8 tt0 -47.8 -54.23 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.38 -19.09 13.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -79.66 1.39 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' VAL . 3.3 mp -109.51 -66.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -46.13 -25.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 69' ' ' ILE . 2.9 t80 -78.38 -40.24 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' ILE . 11.8 mm -70.24 -33.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.5 -28.29 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.1 10.87 61.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.609 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.5 pt-20 -52.44 -36.56 54.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 6.5 pt-20 -66.81 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 36.2 mtp180 -84.69 -6.54 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG13 ' A' ' 69' ' ' ILE . 25.3 t -83.15 -34.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 mmtp -62.45 -38.43 89.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 5.8 pttt -66.81 -42.89 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.894 HG23 ' CB ' ' A' ' 45' ' ' ALA . 79.7 mt -59.45 -53.19 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.83 HG21 HG22 ' A' ' 65' ' ' VAL . 15.2 mm -72.11 -24.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -75.29 -25.45 68.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.02 -53.2 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 28.9 mm-40 -48.16 -64.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.827 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -65.78 -43.04 89.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.29 66.35 0.76 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -135.59 178.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.661 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -89.31 176.16 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -95.32 4.21 53.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -39.55 4.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.5 -20.99 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.7 t -81.51 111.87 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.433 ' C ' ' NZ ' ' A' ' 8' ' ' LYS . 13.6 p -119.93 176.29 5.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.426 ' ND2' ' OE1' ' A' ' 66' ' ' GLN . 4.7 m120 -63.8 -45.13 91.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.22 55.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 23' ' ' THR . . . -110.1 90.38 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.565 ' OG ' HG23 ' A' ' 29' ' ' VAL . 5.5 t -70.21 61.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.948 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.815 ' CE1' HG13 ' A' ' 29' ' ' VAL . 20.1 p90 -35.57 -41.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.815 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -43.43 -69.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -91.06 -52.34 4.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -40.7 -61.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.3 mp -97.37 -102.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.94 93.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -150.76 88.99 1.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.35 20.61 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 -80.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.19 29.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.814 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.2 p-10 -83.75 -50.52 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.5 t -95.9 -32.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' VAL . 55.3 t -66.19 -83.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' VAL . 6.0 mt-10 -37.86 -48.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 46' ' ' LEU . 5.0 tt -41.79 -47.91 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' THR . 22.6 t -46.93 -75.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 46.0 mtt -36.18 -53.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.894 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.04 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.006 HD12 HD21 ' A' ' 42' ' ' LEU . 17.9 mt -49.31 -23.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.1 mm-40 -79.23 -52.28 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -35.15 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -43.15 64.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -145.13 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.3 m-20 156.57 99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 52' ' ' THR . 8.7 t -172.93 94.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 5.3 pt-20 -63.66 75.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.668 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -57.16 109.38 1.69 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.46 34.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 21.9 t70 -56.45 -34.96 67.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -54.7 -35.23 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -10.17 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.668 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.29 12.58 29.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.9 tp10 -103.92 -19.24 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -94.73 6.62 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.9 pt -92.49 -56.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.556 ' HB ' HG21 ' A' ' 29' ' ' VAL . 11.3 p 46.54 22.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' C ' ' A' ' 63' ' ' THR . 28.0 p -157.79 176.18 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.83 HG22 HG21 ' A' ' 11' ' ' ILE . 42.2 t -86.5 -53.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HA ' HD12 ' A' ' 69' ' ' ILE . 18.1 tp60 -40.44 -54.18 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.722 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -47.21 -49.21 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -55.32 -30.58 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.942 HG13 HG11 ' A' ' 7' ' ' VAL . 7.8 mt -81.73 -56.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -20.05 8.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -84.92 -49.85 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 3' ' ' ILE . 17.0 mm -59.2 -23.92 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.47 -34.48 15.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.3 19.95 32.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 109.603 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' ILE . 3.0 tt0 -68.93 -52.76 25.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.4 -28.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.6 mtp85 -92.8 -51.24 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 10' ' ' ILE . 5.7 t -43.16 -37.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.9 -43.83 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ARG . 19.6 mttt -57.18 -52.24 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 ' CB ' ' A' ' 45' ' ' ALA . 52.6 mt -46.27 -52.06 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 65' ' ' VAL . 10.9 mm -72.63 -27.61 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.0 -25.27 75.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.8 mm100 -105.04 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 41' ' ' GLU . 27.6 mm-40 -40.87 -64.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -63.32 -51.77 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 106.84 76.39 1.0 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG11 HD22 ' A' ' 32' ' ' LEU . 15.9 m -155.17 -179.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 175.33 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -96.16 -6.18 38.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.35 -43.62 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -25.43 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 p -87.1 113.47 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.2 p -129.44 -162.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -84.5 -48.14 9.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -98.39 55.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -133.02 91.35 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 78.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 63' ' ' THR . 4.3 p90 -38.57 -37.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.65 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.3 tm-20 -74.06 -53.98 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -39.81 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD22 HG11 ' A' ' 17' ' ' VAL . 1.9 mp -89.05 -107.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.28 85.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.628 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -108.55 61.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.73 24.07 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.6 t -174.21 113.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.49 24.23 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.714 ' HA ' HD22 ' A' ' 15' ' ' LEU . 15.9 p-10 -74.65 -50.78 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.051 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -102.48 -60.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 74.7 t -33.67 -57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -65.55 -58.5 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.132 HD21 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -40.8 -39.85 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 39' ' ' THR . 22.0 t -52.11 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -52.5 26.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.914 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.3 -65.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.132 HD12 HD21 ' A' ' 42' ' ' LEU . 13.1 mt -52.46 -21.52 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -81.01 -51.66 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -34.8 78.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -42.27 -44.19 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.71 -73.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 52' ' ' THR . 2.7 p-10 168.02 91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 52' ' ' THR . 8.1 t -175.54 105.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 8.3 pt-20 -74.76 110.45 9.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.998 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -58.39 112.19 4.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 144.26 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -44.78 -61.63 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.7 mm-40 -38.69 -29.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.967 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -96.73 -38.82 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -47.69 -30.02 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.05 -40.26 12.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -71.0 -8.69 55.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.9 pt -103.42 20.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 t -36.97 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.8 p -104.69 164.21 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.72 HG22 HG21 ' A' ' 11' ' ' ILE . 61.8 t -70.5 -48.52 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.958 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.7 tt0 -39.47 -54.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -49.78 -44.43 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -57.67 -23.31 50.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.958 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.1 mt -87.06 -42.72 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -17.17 62.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -83.04 -48.77 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG21 HD11 ' A' ' 3' ' ' ILE . 5.1 mm -65.04 -30.0 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -80.38 -35.98 34.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.0 22.6 21.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.637 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 69' ' ' ILE . 11.5 pt-20 -62.84 -52.21 64.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.5 pt-20 -42.95 -32.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -86.92 -40.21 15.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.992 HG11 HG13 ' A' ' 69' ' ' ILE . 37.7 t -47.63 -46.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -52.74 -38.24 60.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.04 -52.99 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.84 HG23 ' CB ' ' A' ' 45' ' ' ALA . 36.7 mt -48.5 -55.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.774 HG21 HG22 ' A' ' 65' ' ' VAL . 11.2 mm -69.6 -26.09 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.71 -25.04 73.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.155 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.8 mm-40 -105.12 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 13.3 mm-40 -43.12 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -55.3 -57.51 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.41 60.06 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.18 -173.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -174.5 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.68 -53.08 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.59 -45.2 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -53.73 -50.08 66.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.14 138.42 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 21' ' ' GLU . 62.1 p -133.54 172.43 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -91.27 39.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.41 37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -125.79 129.08 48.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' PHE . 3.4 m -93.33 76.41 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.4 p90 -35.25 -40.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.08 -75.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -79.2 -59.19 2.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.43 -70.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.1 mt -84.34 -104.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.22 91.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -142.14 79.95 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.13 45.04 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.94 -74.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' OE1' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -92.63 30.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.629 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.6 t0 -67.58 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.066 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 m -76.39 -59.23 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' THR . 5.3 t -30.87 -60.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' OE1' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.31 -60.5 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -38.08 -42.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.066 HG23 ' O ' ' A' ' 39' ' ' THR . 26.3 t -49.66 -66.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -55.51 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.1 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 42' ' ' LEU . 16.5 mt -51.86 -21.85 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -81.47 -53.08 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -34.96 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -62.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -128.63 -66.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 2.1 m-20 157.48 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 72' ' ' ILE . 10.2 t -168.92 108.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 6.3 pt-20 -73.33 94.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.919 HG22 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -39.69 120.58 1.41 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 144.68 30.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 34.5 t0 -65.18 -56.76 11.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -100.45 -41.63 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 54' ' ' ILE . . . -57.28 -17.57 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -10.93 21.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -99.98 -14.89 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.7 pt -74.99 -56.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 64' ' ' THR . 14.9 p 48.56 18.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 63' ' ' THR . 20.3 p -159.16 -170.01 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.774 HG22 HG21 ' A' ' 11' ' ' ILE . 43.9 t -96.05 -54.49 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 14.6 tp60 -38.13 -53.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.819 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -49.06 -47.75 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -54.97 -22.55 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.992 HG13 HG11 ' A' ' 7' ' ' VAL . 14.8 mt -92.7 -53.9 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -23.33 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' HG12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -83.51 -47.38 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.591 ' CD1' HG21 ' A' ' 52' ' ' THR . 7.2 mm -68.67 -16.65 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.07 -30.12 18.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 -2.81 67.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.626 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.747 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.5 pt-20 -58.35 -33.57 69.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.93 -39.15 93.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -82.47 -29.99 30.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.791 HG11 HG13 ' A' ' 69' ' ' ILE . 11.9 t -55.83 -39.48 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' GLY . 17.9 mmtp -53.0 -37.13 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 tttt -64.25 -51.45 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.878 HG23 ' CB ' ' A' ' 45' ' ' ALA . 73.7 mt -48.67 -51.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 65' ' ' VAL . 33.6 mm -72.4 -30.28 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.74 -24.74 76.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.95 -58.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 26.9 mm-40 -42.32 -65.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.701 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.7 mt -65.76 -32.29 73.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 72.19 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.85 162.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.3 mptt -71.86 177.14 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 20' ' ' GLU . 8.6 pt20 -84.8 -43.32 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 18.1 mt-10 -62.82 -44.1 97.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -23.44 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 18' ' ' LYS . 3.2 t -83.9 117.62 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -128.29 148.06 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -82.26 75.92 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 176.77 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -49.11 141.13 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.807 ' HA ' HG22 ' A' ' 64' ' ' THR . 7.5 m -96.68 60.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.743 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.3 m-85 -41.89 164.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.4 t 83.49 -50.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -102.35 -60.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -42.56 -91.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.09 97.77 0.12 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.797 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -151.47 75.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -123.71 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -157.48 -70.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 33.98 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.646 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 t0 -79.63 -90.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.2 t -70.05 -53.52 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' OE1' ' A' ' 41' ' ' GLU . 50.2 t -36.28 -35.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.538 ' OE1' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -97.1 -60.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -40.47 -46.93 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.078 HG22 HG23 ' A' ' 54' ' ' ILE . 48.8 t -47.21 -65.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.2 mmt -47.29 -52.53 15.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.878 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.79 -70.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 42' ' ' LEU . 23.0 mt -49.2 -23.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -77.95 -51.02 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -41.35 80.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.6 -34.49 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 5.2 m-85 -143.52 -83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER 156.18 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 52' ' ' THR . 11.2 t -160.17 96.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.0 75.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.078 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.25 107.31 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.584 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 145.07 31.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 4.9 p-10 -45.35 -51.18 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.75 -38.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.96 -22.6 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -64.99 -20.68 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -77.93 -45.42 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -60.0 -15.62 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 67' ' ' ALA . 11.1 pt -109.98 31.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.497 HG23 HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -41.39 -28.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' SER . 62.5 p -91.78 -158.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 11' ' ' ILE . 79.7 t -108.76 -46.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 69' ' ' ILE . 5.0 tp-100 -46.87 -54.0 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -46.66 -49.46 19.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -45.91 -28.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 66' ' ' GLN . 6.5 mt -86.36 -58.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -49.14 -28.05 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 2.9 t80 -81.58 -36.62 28.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.01 -21.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -84.97 -27.99 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.16 -1.52 63.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.575 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 1.035 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.543 ' HB3' HG21 ' A' ' 69' ' ' ILE . 23.1 pt-20 -73.7 -52.19 14.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.1 pt-20 -49.08 -25.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -93.37 -37.32 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 3' ' ' ILE . 38.3 t -51.33 -40.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 32.5 mmtm -51.19 -44.27 61.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.0 mttm -60.0 -58.47 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 45' ' ' ALA . 3.3 mt -42.01 -55.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.874 HG13 HG13 ' A' ' 65' ' ' VAL . 16.8 mm -68.85 -29.93 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -70.09 -24.12 76.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' LYS . 6.8 mm-40 -105.91 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' ILE . 30.3 mm-40 -38.39 -68.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HD2' ' A' ' 28' ' ' PHE . 1.7 mt -54.69 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.06 69.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.96 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -178.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.74 3.83 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -39.62 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 23' ' ' THR . 29.1 mt-10 -66.54 -25.51 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 4.9 t -55.96 120.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 21' ' ' GLU . 82.0 p -106.31 -165.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -126.01 37.18 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -178.84 38.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.97 136.77 52.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -75.44 118.8 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 65' ' ' VAL . 3.4 m-85 -94.97 1.83 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.1 t -108.04 -40.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -88.48 -74.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -47.21 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -53.18 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.43 100.79 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.627 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -136.75 77.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.37 44.19 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -171.56 -70.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 30.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.4 t0 -71.59 -88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.933 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -80.4 -48.99 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 98.5 t -37.33 -32.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -99.91 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -39.66 -46.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 39' ' ' THR . 48.2 t -47.52 -73.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' VAL . 31.5 mtt -37.32 -54.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.909 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.15 -70.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 HD21 ' A' ' 42' ' ' LEU . 36.0 mt -48.28 -23.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.1 -53.27 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.93 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' A' ' 49' ' ' GLU . 6.8 tp10 -54.55 -37.35 65.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -145.96 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.4 m-20 159.34 93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.682 ' O ' HG22 ' A' ' 52' ' ' THR . 0.6 OUTLIER -169.76 94.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 77.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.893 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.93 109.72 1.61 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.58 30.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.4 p-10 -54.01 -47.58 71.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -22.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -19.82 12.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -99.05 11.96 37.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 57.8 tt0 -103.67 -24.27 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 -7.06 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 12.3 pt -77.05 -55.46 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.521 ' HA ' HG21 ' A' ' 29' ' ' VAL . 44.6 p 41.09 27.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' C ' ' A' ' 63' ' ' THR . 38.9 p -156.86 173.55 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.874 HG13 HG13 ' A' ' 11' ' ' ILE . 2.8 t -89.45 -41.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.8 tp-100 -54.75 -53.77 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -41.19 -59.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 46' ' ' LEU . . . -42.94 -40.29 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.966 HG13 HG11 ' A' ' 7' ' ' VAL . 9.6 mt -76.09 -60.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.05 -24.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' OH ' HG23 ' A' ' 52' ' ' THR . 2.8 t80 -84.39 -51.99 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HD11 ' A' ' 3' ' ' ILE . 3.7 mm -57.96 -33.07 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.71 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.09 3.69 85.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.597 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.762 HD13 ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.0 pt-20 -60.95 -12.81 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 8.5 pt-20 -101.33 -40.9 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -75.61 -30.8 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 46' ' ' LEU . 2.3 t -54.08 -48.81 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HZ2' ' HA ' ' A' ' 24' ' ' ASN . 18.4 mmtt -47.18 -44.1 21.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.3 mttm -63.09 -52.18 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 45' ' ' ALA . 54.8 mt -47.84 -50.99 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.737 HG21 HG22 ' A' ' 65' ' ' VAL . 2.5 mm -73.11 -29.07 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.89 -24.9 76.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.7 mm100 -105.36 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 90.1 mm-40 -40.74 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.793 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -60.99 -41.14 95.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 98.15 77.44 1.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 16' ' ' GLY . 30.2 m -156.64 -172.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.7 mppt? -89.91 175.14 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -94.74 -49.63 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -24.01 66.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -56.74 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' C ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -59.59 151.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 24' ' ' ASN . 10.4 p -148.3 -137.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.481 ' HA ' ' HZ2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -111.09 -53.43 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -72.37 -11.73 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.94 120.95 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.6 m -99.16 82.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.647 ' CB ' HD12 ' A' ' 15' ' ' LEU . 11.8 p90 -39.74 -36.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.78 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -100.54 -40.61 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' SER . 16.0 t70 -39.91 -42.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -117.08 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 157.12 99.73 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 38' ' ' ASP . . . -166.76 92.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.72 21.93 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -71.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 23.49 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.793 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.3 p-10 -75.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.4 -56.84 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -41.25 -83.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.532 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.5 mt-10 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD21 ' CD1' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -39.12 -40.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 39' ' ' THR . 26.9 t -54.06 -72.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' VAL . 22.5 mtt -35.6 -52.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.901 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.84 -72.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 7' ' ' VAL . 11.7 mt -46.94 -24.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -75.49 -53.54 8.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.79 78.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HD11 ' A' ' 10' ' ' ILE . 10.2 tp10 -44.07 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -125.36 -62.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.8 m-20 155.41 97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 HD12 ' A' ' 72' ' ' ILE . 12.0 t -175.25 100.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -67.24 62.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.853 HD13 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -43.26 104.72 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.588 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 147.16 33.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.691 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -54.69 -46.24 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.94 -28.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -112.91 -21.67 11.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -87.24 -0.68 57.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -104.69 -33.03 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.65 -2.95 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.852 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 9.8 pt -81.25 -56.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 62' ' ' ILE . 1.2 p 62.74 7.98 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' THR . 17.6 p -158.8 179.04 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -84.98 -40.1 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -49.72 -53.78 22.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.852 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -58.86 -16.34 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -88.58 -27.04 21.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 7' ' ' VAL . 82.2 mt -87.91 -61.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -22.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 54' ' ' ILE . 1.5 t80 -79.39 -46.77 16.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 52' ' ' THR . 25.9 mm -74.31 -12.66 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.34 -32.49 11.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.0 2.96 87.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.577 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.537 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.673 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.3 pp20? -50.55 -35.34 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.13 -21.99 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 60.2 mtp85 -95.46 -27.91 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 69' ' ' ILE . 55.8 t -60.43 -38.72 78.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -55.06 -38.13 67.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 mtmt -63.96 -57.8 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.871 HG23 ' CB ' ' A' ' 45' ' ' ALA . 43.6 mt -45.61 -51.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 65' ' ' VAL . 26.5 mm -71.87 -26.7 25.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.73 -25.2 74.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.38 -53.99 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 24.4 mm-40 -48.44 -64.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 11' ' ' ILE . 6.5 mt -54.43 -59.52 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.08 53.12 0.36 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.7 t -129.74 -173.68 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.724 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.3 mptt -101.36 179.8 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.01 60.37 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -159.3 -46.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -86.06 10.45 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 22' ' ' VAL . 2.7 t -109.81 96.5 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.838 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.8 p -108.71 -168.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -86.52 -43.94 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -93.13 34.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.4 84.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.5 m -69.16 69.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.793 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 21.2 p90 -36.27 -34.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 17.3 t -36.35 -74.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -98.41 -40.45 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -44.16 -64.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -94.53 -84.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 162.17 99.34 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.793 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -155.26 88.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.79 15.06 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.605 ' HB3' HD23 ' A' ' 37' ' ' LEU . 5.0 m -117.8 -69.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -101.15 27.41 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.92 -90.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 p -58.63 -57.48 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 70.4 t -38.99 -87.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -38.39 -53.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.093 ' CD2' HD12 ' A' ' 46' ' ' LEU . 1.9 tt -42.23 -52.5 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 54' ' ' ILE . 39.0 t -44.47 -69.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -49.04 11.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -58.75 -69.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.093 HD12 ' CD2' ' A' ' 42' ' ' LEU . 49.9 mt -51.18 -22.16 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -79.48 -50.0 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -34.75 72.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 1.2 tp10 -61.52 -28.41 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 1.1 m-85 -152.69 -80.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 156.07 94.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 52' ' ' THR . 9.4 t -163.94 94.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.48 71.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.6 105.33 0.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 144.73 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.75 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 22.9 t0 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.3 -41.97 63.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.557 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -97.52 -10.13 25.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -75.81 -25.11 56.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -76.66 -20.93 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 3.34 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.1 pt -124.49 26.85 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 60' ' ' GLU . 58.7 p -35.58 -44.63 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 62' ' ' ILE . 21.4 p -90.49 167.97 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 11' ' ' ILE . 50.5 t -71.65 -54.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.935 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -37.19 -54.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.505 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -47.84 -49.64 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -47.2 -26.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.935 HD12 ' HA ' ' A' ' 66' ' ' GLN . 7.1 mt -85.87 -60.82 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -21.52 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' ALA . 3.9 t80 -81.16 -42.89 20.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 52' ' ' THR . 5.5 mm -70.56 -25.86 27.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -87.48 -31.22 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.54 13.46 55.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.57 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.997 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 3.3 pt-20 -68.1 -36.56 79.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.51 -21.85 59.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -93.01 -33.66 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 3' ' ' ILE . 25.3 t -46.92 -45.43 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -46.92 -41.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.6 tttt -64.58 -53.16 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.822 HG23 ' CB ' ' A' ' 45' ' ' ALA . 45.9 mt -47.5 -50.51 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.816 HG13 HG13 ' A' ' 65' ' ' VAL . 2.9 mm -72.86 -31.9 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' HA2' HG21 ' A' ' 22' ' ' VAL . . . -68.64 -25.19 75.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.5 mm-40 -103.67 -59.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 13.3 mm100 -41.79 -64.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.784 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -64.59 -28.49 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.29 72.71 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -137.69 171.08 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -76.94 175.04 9.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.9 51.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.3 -50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 23' ' ' THR . 3.7 mm-40 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG21 ' HA2' ' A' ' 12' ' ' GLY . 30.3 t -68.35 80.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 21' ' ' GLU . 34.9 p -93.26 -159.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -92.97 -45.02 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -97.68 49.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -109.54 121.8 46.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -99.74 75.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 1.2 p90 -37.8 -38.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -40.08 -79.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -78.62 -56.79 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.07 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -94.09 -112.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -172.09 87.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . . . -83.43 50.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.99 43.34 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER 178.37 118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 43.04 28.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.685 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.07 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.99 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.21 -48.96 14.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.6 -71.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -52.14 -54.28 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.948 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -38.99 -45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 39' ' ' THR . 20.5 t -47.45 -64.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.3 mmt -45.33 -55.44 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.822 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.12 -67.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.948 HD12 ' CD2' ' A' ' 42' ' ' LEU . 35.3 mt -50.02 -23.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.06 -52.92 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -35.61 74.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -52.51 -20.53 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -169.63 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.89 94.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 52' ' ' THR . 13.3 t -167.82 88.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -63.3 76.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -57.63 109.68 1.95 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 144.71 30.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 p-10 -53.86 -45.87 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.45 -33.61 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.17 -18.17 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -82.86 -57.41 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -39.28 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.76 40.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 59' ' ' ALA . 7.2 pt -125.79 -55.82 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 64' ' ' THR . 11.4 p 49.72 18.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 63' ' ' THR . 12.0 p -159.84 174.82 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.816 HG13 HG13 ' A' ' 11' ' ' ILE . 23.3 t -87.11 -46.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.7 tt0 -47.01 -52.91 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -43.07 -29.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -78.45 -44.33 24.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.903 HG13 HG11 ' A' ' 7' ' ' VAL . 87.7 mt -68.15 -51.7 45.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.33 -20.6 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -81.94 -48.3 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 3' ' ' ILE . 16.0 mm -62.34 -23.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -88.57 -32.08 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.42 16.01 51.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.568 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.669 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 18.8 pt-20 -54.99 -49.45 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.3 pt-20 -49.28 -36.4 20.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -85.0 -29.26 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.749 HG11 HG13 ' A' ' 69' ' ' ILE . 36.4 t -58.18 -38.45 68.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -52.39 -37.93 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLN . 17.5 mttt -61.43 -51.58 68.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.882 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -48.1 -52.18 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG13 ' A' ' 65' ' ' VAL . 41.6 mm -71.81 -28.72 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -71.46 -25.37 75.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.7 mm-40 -104.08 -56.9 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 38.5 mm-40 -42.9 -64.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 28' ' ' PHE . 6.8 mt -57.4 -74.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.94 49.54 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.84 -173.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.43 175.59 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.05 -35.38 9.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.36 -33.81 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 1.3 mt-10 -76.46 -45.85 29.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.39 130.79 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 21' ' ' GLU . 72.4 p -137.86 164.93 27.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 10.6 p-10 -78.75 73.06 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 175.73 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.31 164.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -125.97 76.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . 4.4 p90 -38.52 -36.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.735 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.86 -87.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -95.48 -39.56 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 27' ' ' SER . 4.7 t70 -39.25 -58.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.63 -76.87 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 158.94 100.19 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.44 85.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.764 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.08 26.85 7.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -138.81 -80.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD22 ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.19 32.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.474 ' HA ' HD22 ' A' ' 15' ' ' LEU . 13.6 t0 -70.61 -69.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.07 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -87.93 -61.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.8 t -29.16 -52.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.601 ' OE2' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.92 -61.81 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.007 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.85 -40.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.07 HG23 ' O ' ' A' ' 39' ' ' THR . 21.6 t -49.01 -65.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.4 mtp -46.04 -52.71 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.882 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.6 -63.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.007 HD12 ' CD2' ' A' ' 42' ' ' LEU . 21.3 mt -54.37 -20.3 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mm-40 -83.0 -51.54 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.52 78.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -41.48 -61.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -130.86 -68.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 1.5 m-20 161.66 90.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.412 HG23 ' OH ' ' A' ' 71' ' ' TYR . 2.2 t -177.71 115.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -80.01 105.85 11.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.995 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -51.8 112.45 3.21 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.417 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.94 144.58 30.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLU . 27.9 t0 -46.55 -61.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -40.17 -28.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -94.56 -48.83 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB1' ' OG1' ' A' ' 39' ' ' THR . . . -40.51 -38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.93 -39.75 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLU . 2.0 mttm -69.19 -8.74 48.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.479 HG22 ' HB1' ' A' ' 67' ' ' ALA . 24.0 pt -111.33 28.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.735 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.44 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.3 p -108.15 168.01 9.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HG13 ' A' ' 11' ' ' ILE . 47.4 t -72.21 -45.45 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . 9.9 tp60 -35.87 -54.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -55.92 -52.54 63.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -38.77 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.749 HG13 HG11 ' A' ' 7' ' ' VAL . 2.8 mp -83.71 -52.91 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' ALA . 30.1 t70 -55.81 -18.94 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -87.19 -53.14 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 46' ' ' LEU . 3.9 mm -58.42 -39.15 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.79 -30.68 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.66 60.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.542 0.789 . . . . 0.0 109.622 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.9 pt-20 -67.27 -19.5 65.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.77 -25.59 65.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.455 HH21 ' HG3' ' A' ' 49' ' ' GLU . 8.2 mtp85 -102.34 -29.35 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 69' ' ' ILE . 77.4 t -55.25 -46.6 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' CG ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.51 -43.67 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -55.7 24.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 HD23 ' A' ' 46' ' ' LEU . 47.4 mt -44.56 -51.49 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.798 HG13 HG13 ' A' ' 65' ' ' VAL . 16.3 mm -72.27 -30.6 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -67.98 -20.26 72.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -112.51 -60.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.9 mm-40 -37.84 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.4 mt -57.47 -46.28 83.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 103.64 90.38 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 28' ' ' PHE . 29.5 m -156.46 -169.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -178.61 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.54 34.27 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.24 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.12 -7.67 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.754 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 2.9 t -73.18 79.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.784 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.0 p -83.88 -139.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -121.22 -63.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -67.08 -11.23 56.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -53.31 106.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 2.2 m -83.35 80.2 9.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.818 ' CD2' HD12 ' A' ' 15' ' ' LEU . 7.2 m-85 -39.54 -42.4 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.939 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -39.98 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.652 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.9 tm-20 -75.17 -51.67 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' SER . 7.0 t70 -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.3 mt -99.59 -102.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 176.48 92.18 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -86.08 50.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.57 36.61 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -175.64 117.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER 39.19 42.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.998 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.3 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.978 ' O ' HG23 ' A' ' 43' ' ' VAL . 70.5 p -67.7 -52.61 35.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 60.9 t -38.26 -79.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.75 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 46' ' ' LEU . 1.2 tt -43.17 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 39' ' ' THR . 12.7 t -54.23 -62.52 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 25.2 mmt -47.99 -54.75 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.872 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.57 -65.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.888 HD23 HD13 ' A' ' 10' ' ' ILE . 12.0 mt -53.92 -20.61 6.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -80.61 -50.53 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -34.33 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.775 ' OE1' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.62 -75.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -85.05 -51.62 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.1 t70 84.29 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -135.58 9.86 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CG ' ' C ' ' A' ' 52' ' ' THR . 1.5 pt-20 39.18 75.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.859 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -64.46 111.89 6.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 144.59 30.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.3 t70 -54.18 -34.27 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.42 -32.08 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -109.47 -6.05 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.39 4.4 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ASP . 24.6 tt0 -102.05 -35.45 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.81 1.86 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.5 pt -78.6 -55.62 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.939 ' HB ' HG21 ' A' ' 29' ' ' VAL . 8.3 p 46.99 22.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.7 p -158.04 172.64 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG13 ' A' ' 11' ' ' ILE . 21.6 t -89.51 -35.78 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.524 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.7 tp60 -58.14 -53.31 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -39.92 -54.86 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -46.11 -44.6 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.964 HG13 HG11 ' A' ' 7' ' ' VAL . 5.4 mt -69.22 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.82 -26.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.0 t80 -83.44 -47.7 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.651 HG21 HD11 ' A' ' 3' ' ' ILE . 17.6 mm -58.09 -23.35 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -88.72 -51.39 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.53 -26.03 4.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.966 ' HB2' HD13 ' A' ' 69' ' ' ILE . 10.1 pt-20 -77.48 -46.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.3 pt-20 -62.74 -21.57 65.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -99.51 -20.45 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 3' ' ' ILE . 1.8 t -62.32 -40.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -53.94 -32.36 53.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -60.35 -55.32 35.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 46' ' ' LEU . 11.9 mt -44.94 -53.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.836 HD11 HD12 ' A' ' 42' ' ' LEU . 20.8 mm -71.03 -25.8 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.67 -25.24 72.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.6 mm-40 -105.33 -57.71 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.491 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 23.7 mm-40 -42.47 -64.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD13 ' CB ' ' A' ' 34' ' ' ALA . 2.1 mt -55.76 -65.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.94 60.72 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG11 HD22 ' A' ' 32' ' ' LEU . 2.0 t -137.27 167.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 175.0 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 14.26 20.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.34 -35.99 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -79.37 -15.91 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG21 ' HA2' ' A' ' 12' ' ' GLY . 14.4 t -92.09 130.88 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 p -149.3 174.5 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.8 p-10 -89.08 75.33 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.4 p-10 162.55 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 148.25 43.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -116.26 80.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HA ' HD12 ' A' ' 32' ' ' LEU . 6.9 p90 -40.31 -35.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.83 -82.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 29' ' ' VAL . 12.2 tm-20 -93.62 -42.01 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 31.1 t0 -40.26 -61.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.6 mt -98.73 -84.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 164.4 98.81 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.664 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -156.61 89.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -123.22 31.67 5.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 t -144.4 -72.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 29.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.2 t0 -72.43 -83.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.032 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -76.81 -54.64 6.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' THR . 27.4 t -36.78 -67.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -56.75 -55.95 27.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.929 HD21 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -39.47 -46.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 39' ' ' THR . 21.5 t -47.69 -61.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 6.9 mtt -46.35 -55.94 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.87 -65.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 10' ' ' ILE . 36.4 mt -54.05 -20.12 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -81.83 -50.17 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -34.39 64.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -72.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 72' ' ' ILE . 3.8 m-30 -94.31 -48.18 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t70 85.18 82.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.715 HG23 ' OH ' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -141.15 13.23 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.3 pt-20 35.3 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -79.05 113.63 37.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.855 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.95 145.52 31.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLU . 6.0 p-10 -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -26.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -22.54 12.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.739 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -95.18 12.04 30.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -100.8 -21.54 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -16.74 35.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.729 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.3 pt -76.97 -56.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.719 ' OG1' HG21 ' A' ' 29' ' ' VAL . 1.6 t 43.79 24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' THR . 31.7 p -157.82 177.65 11.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.808 HG22 HG21 ' A' ' 11' ' ' ILE . 11.7 t -87.06 -51.4 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -45.49 -53.2 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -52.61 -35.06 53.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -64.47 -11.97 39.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.966 HD13 ' HB2' ' A' ' 4' ' ' GLU . 30.4 mt -97.05 -47.55 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.28 -21.81 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.715 ' OH ' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -83.46 -50.43 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 3' ' ' ILE . 2.2 mm -60.07 -27.12 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.78 -36.15 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.62 -16.16 28.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.9 m80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.631 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' ' 69' ' ' ILE . 1.2 tm-20 -54.69 -57.48 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -43.41 -30.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -90.83 -33.84 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 3' ' ' ILE . 53.9 t -56.16 -41.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.2 mmtp -53.66 -33.44 55.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -62.14 -49.9 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.3 mt -53.64 -61.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.591 HG21 HG22 ' A' ' 65' ' ' VAL . 23.6 mm -63.12 -23.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -81.64 -17.55 70.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.0 mm100 -112.78 -64.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 6.7 mm-40 -36.96 -64.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 34' ' ' ALA . 1.6 mt -55.49 -70.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.47 62.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -143.59 -175.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 1.3 mppt? -86.74 179.19 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -104.6 43.21 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -142.81 -50.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 23' ' ' THR . 6.8 mm-40 -59.35 -38.33 80.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 65' ' ' VAL . 89.9 t -65.59 118.55 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.677 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 43.3 p -123.77 176.04 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -72.81 -38.61 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -100.02 51.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -140.68 107.69 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -80.2 74.15 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 15' ' ' LEU . 20.8 p90 -33.06 -38.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.8 t -39.43 -63.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' ASP . 2.6 tm-20 -104.81 -51.12 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -37.04 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -80.88 -107.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.95 83.62 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 15' ' ' LEU . . . -141.42 82.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.95 40.85 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.36 33.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.602 ' CB ' ' HB1' ' A' ' 34' ' ' ALA . 7.3 p-10 -78.24 -50.93 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.027 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -101.83 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.45 HG12 ' OE1' ' A' ' 41' ' ' GLU . 13.2 t -36.75 -59.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -62.78 -58.43 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.023 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.8 -43.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 39' ' ' THR . 33.3 t -50.54 -66.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtt -43.56 -53.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.95 -71.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.023 HD12 ' CD2' ' A' ' 42' ' ' LEU . 45.3 mt -47.42 -24.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -76.14 -52.4 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -35.84 81.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -28.9 56.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -156.22 -82.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.58 92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 52' ' ' THR . 15.2 t -164.68 90.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.19 73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.905 HG23 HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -50.33 106.5 0.65 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.03 161.62 38.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.581 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -56.82 -53.08 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.2 pt-20 -44.29 -35.19 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -95.86 -22.25 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.14 -10.69 52.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -85.98 -36.03 20.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 5.5 pt -101.44 21.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -33.69 -36.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.44 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.6 p -108.1 166.27 10.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -69.61 -45.62 77.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -38.32 -54.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -53.22 -51.52 61.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -40.11 -29.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 4' ' ' GLU . 29.1 mt -83.7 -67.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -25.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 4.9 t80 -77.17 -44.72 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.654 HG21 HD11 ' A' ' 3' ' ' ILE . 5.3 mm -67.79 -26.51 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.49 -36.99 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.87 -19.8 23.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.579 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 25.2 pt-20 -54.73 -48.65 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -50.57 -38.2 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -82.1 -31.41 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.912 HG11 HG13 ' A' ' 69' ' ' ILE . 17.8 t -56.67 -36.55 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -54.85 -32.42 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -51.88 52.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 45' ' ' ALA . 78.9 mt -49.9 -54.33 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.986 HG13 HG13 ' A' ' 65' ' ' VAL . 11.5 mm -70.46 -30.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -64.67 -25.25 70.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -60.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 20.0 mm-40 -40.53 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.858 ' HG ' HG23 ' A' ' 11' ' ' ILE . 5.3 mt -45.82 -54.44 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' HG13 ' A' ' 17' ' ' VAL . . . 111.12 79.97 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 28' ' ' PHE . 29.2 m -151.22 -168.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -177.63 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -120.08 63.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.62 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.9 -8.84 52.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 8' ' ' LYS . 3.2 t -73.48 135.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.969 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 65.8 p -128.59 -174.23 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -91.45 -49.4 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -90.93 48.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.969 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.22 101.36 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.72 ' HA ' HG22 ' A' ' 64' ' ' THR . 71.9 m -75.3 70.6 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.674 ' CD2' HD12 ' A' ' 15' ' ' LEU . 5.4 m-85 -33.48 -49.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -35.66 -65.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -88.86 -60.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 1.5 m-20 -38.36 -59.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -105.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.19 95.68 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -81.82 51.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.64 44.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER 174.61 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER 38.12 43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.67 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 4.0 t0 -73.39 -88.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.055 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 t -71.45 -53.98 12.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.514 ' N ' HG23 ' A' ' 39' ' ' THR . 57.5 t -33.74 -65.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 1.1 mp0 -60.59 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.011 ' CD2' HD12 ' A' ' 46' ' ' LEU . 4.7 tt -38.44 -47.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.055 HG23 ' O ' ' A' ' 39' ' ' THR . 38.2 t -47.44 -74.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 26.7 mmt -35.98 -57.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.877 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.06 -73.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 42' ' ' LEU . 23.3 mt -44.98 -26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -73.72 -55.61 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -32.33 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -135.01 34.97 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.7 t0 51.92 86.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 52' ' ' THR . 0.7 OUTLIER -155.72 94.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -62.2 147.83 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.806 HG23 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -132.85 96.08 18.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.1 Cg_endo -74.98 145.77 31.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.883 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.7 p-10 -38.64 -53.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.1 tp10 -37.98 -42.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.507 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.77 -22.54 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.18 -26.45 66.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 63' ' ' THR . 2.6 tm-20 -70.99 -6.58 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -7.05 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 2.8 pt -108.57 15.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.614 ' HB ' HG21 ' A' ' 29' ' ' VAL . 61.6 p -35.65 -34.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.1 p -96.39 154.62 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.986 HG13 HG13 ' A' ' 11' ' ' ILE . 11.8 t -67.31 -38.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.3 tt0 -53.56 -54.07 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -47.4 -42.55 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -59.4 -34.39 72.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.912 HG13 HG11 ' A' ' 7' ' ' VAL . 1.7 mt -72.45 -57.69 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -15.25 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 15.8 t80 -82.06 -47.23 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 3' ' ' ILE . 5.4 mm -67.81 -22.06 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.52 -31.09 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.26 13.5 54.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.619 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.504 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 20.3 pt-20 -53.44 -47.39 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -53.53 -35.09 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.7 -23.78 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.86 HG11 HG13 ' A' ' 69' ' ' ILE . 41.1 t -64.05 -37.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' CG1' ' A' ' 22' ' ' VAL . 19.1 mmtp -58.16 -28.35 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -72.5 -56.59 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.889 HG23 ' CB ' ' A' ' 45' ' ' ALA . 74.7 mt -49.42 -68.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.586 HG13 HG13 ' A' ' 65' ' ' VAL . 13.8 mm -44.81 -29.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.84 -90.23 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -37.54 -40.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 15.6 mm-40 -66.3 -86.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.5 mt -50.17 -60.88 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 114.89 83.05 1.09 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.69 HG21 ' CE2' ' A' ' 28' ' ' PHE . 1.8 t -141.09 166.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -84.51 175.05 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -5.38 59.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -114.82 4.11 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.4 mt-10 -121.35 8.18 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 24.7 t -111.91 97.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.821 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.1 p -111.34 -166.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -99.39 -32.47 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -108.52 49.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.821 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -115.43 104.23 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' PHE . 4.5 m -71.25 68.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 65' ' ' VAL . 2.9 m-85 -34.64 -45.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.809 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -40.4 -71.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.572 ' H ' HG23 ' A' ' 29' ' ' VAL . 10.7 tm-20 -78.86 -63.04 1.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -38.5 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.5 mt -94.98 -111.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.84 83.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.916 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -86.73 50.47 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.06 33.16 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.02 117.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.53 26.9 14.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.916 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 t0 -71.95 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.0 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 m -67.79 -56.25 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' THR . 66.3 t -38.22 -85.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' VAL . 2.0 mt-10 -38.08 -53.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -46.51 -53.55 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 39' ' ' THR . 21.9 t -41.6 -74.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 mmt -43.15 -52.35 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.889 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -54.96 -72.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 42' ' ' LEU . 19.1 mt -47.5 -24.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.84 -51.3 11.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -42.32 76.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -42.58 -54.32 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -131.36 -74.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 155.8 98.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -177.83 100.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 130.82 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.894 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -111.8 108.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 144.68 30.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.9 p-10 -51.36 -46.88 62.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.83 -21.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -17.41 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.894 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . . . -102.19 12.0 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.3 tt0 -102.79 -38.44 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -73.93 -4.66 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.717 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.8 pt -71.66 -57.38 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 29' ' ' VAL . 12.2 p 46.85 21.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 63' ' ' THR . 67.5 p -155.43 -176.62 6.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' PHE . 88.6 t -98.58 -37.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -54.21 -52.9 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -38.67 -59.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -44.72 -44.33 9.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -67.86 -67.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -26.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 9.2 t80 -78.03 -42.57 32.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.707 HG21 ' CD1' ' A' ' 3' ' ' ILE . 20.1 mm -72.15 -26.06 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -88.83 -30.7 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.95 8.43 70.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.599 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.8 pt-20 -90.16 -50.98 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -47.85 -30.62 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' LYS . 25.4 mtp85 -87.52 -39.37 15.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -41.53 -57.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -40.75 -40.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -67.62 -48.25 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 45' ' ' ALA . 50.0 mt -51.57 -39.47 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.999 HG13 HG13 ' A' ' 65' ' ' VAL . 20.4 mm -85.06 -23.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -98.66 17.14 58.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' LYS . 37.9 mm-40 -135.65 -49.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -70.01 -66.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.3 mt -42.52 -55.94 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 118.47 77.62 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 16' ' ' GLY . 18.8 m -158.33 -176.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 176.23 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -107.96 50.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.03 -46.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG12 ' HG3' ' A' ' 8' ' ' LYS . 61.5 t -88.14 106.03 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -110.18 -170.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.54 26.14 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.51 30.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -105.51 102.76 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ASP . 15.9 m -64.47 76.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.683 ' CD1' HD12 ' A' ' 15' ' ' LEU . 1.3 t80 -35.83 -41.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -39.83 -77.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.757 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -91.07 -46.14 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 34.7 t70 -39.07 -64.42 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD22 HG11 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -97.36 -96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.147 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -106.05 57.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.77 24.27 13.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -176.16 115.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 68.54 20.21 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.691 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 5.3 t0 -64.08 -85.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.026 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.0 p -76.5 -59.92 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.3 t -32.48 -69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -57.06 -56.41 22.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.089 HD11 HD12 ' A' ' 46' ' ' LEU . 1.2 tm? -39.5 -46.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 39' ' ' THR . 15.3 t -42.46 -60.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mmt -52.56 -50.32 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -56.31 -71.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.089 HD12 HD11 ' A' ' 42' ' ' LEU . 9.9 mt -47.99 -24.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -77.57 -54.34 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -33.92 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.7 -89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -92.58 -34.11 14.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.9 t70 86.51 80.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.937 HG21 HD13 ' A' ' 72' ' ' ILE . 4.3 t -131.68 12.88 4.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER 34.67 80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.962 HG22 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -46.86 111.14 1.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 144.37 30.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t70 -58.41 -53.28 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.0 pt-20 -38.32 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.939 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.05 -39.26 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -58.15 -26.72 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -2.8 42.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -10.9 13.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 58' ' ' GLU . 22.3 pt -84.07 -52.79 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.518 ' C ' HG23 ' A' ' 64' ' ' THR . 4.7 p 40.88 26.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 63' ' ' THR . 40.7 p -156.84 166.77 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.999 HG13 HG13 ' A' ' 11' ' ' ILE . 39.4 t -85.95 -25.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.0 tp-100 -70.79 -51.82 24.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -50.76 -33.92 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -70.15 -24.66 63.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.833 ' CG1' HG11 ' A' ' 7' ' ' VAL . 89.5 mt -86.28 -50.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.76 -21.46 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.16 -42.83 22.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.937 HD13 HG21 ' A' ' 52' ' ' THR . 1.5 mm -71.01 -24.82 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.99 -35.8 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.43 19.72 38.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.8 t60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.579 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.983 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -76.18 -52.69 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.54 -24.04 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -97.23 -33.12 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -46.6 -43.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.17 -45.36 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLN . 64.0 mttt -59.52 -53.55 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.939 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.8 mt -46.66 -50.67 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.892 HG13 HG13 ' A' ' 65' ' ' VAL . 11.8 mm -73.12 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -74.45 -23.59 75.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -105.9 -51.12 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 37' ' ' LEU . 32.0 mm-40 -51.7 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.681 ' HG ' HG23 ' A' ' 11' ' ' ILE . 3.5 mt -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.73 4.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.85 -167.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -175.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -123.94 -42.84 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.71 -30.13 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.24 -27.42 32.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -73.03 115.7 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.5 p -87.29 178.07 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLN . 5.8 p30 -91.16 -43.16 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.62 -12.59 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 32' ' ' LEU . . . -49.76 123.95 8.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 m -99.83 58.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.726 ' C ' HG23 ' A' ' 29' ' ' VAL . 2.3 p90 -38.63 159.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.726 HG23 ' C ' ' A' ' 28' ' ' PHE . 2.8 t 85.31 -47.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.371 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -104.69 -24.71 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -108.68 -87.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -45.74 -94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.78 99.39 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.09 86.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.04 38.49 3.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 37' ' ' LEU . 8.5 t -152.52 -57.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -118.51 44.86 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CG ' ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -78.89 -48.98 13.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.039 ' O ' HG23 ' A' ' 43' ' ' VAL . 6.7 t -113.06 -55.62 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.539 ' N ' HG23 ' A' ' 39' ' ' THR . 44.1 t -39.62 -33.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -91.31 -58.89 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD21 ' CD1' ' A' ' 46' ' ' LEU . 1.4 tt -40.3 -42.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.039 HG23 ' O ' ' A' ' 39' ' ' THR . 38.9 t -50.44 -64.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 22.0 mmt -44.98 -55.61 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.939 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.76 -69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.972 ' CD1' HD21 ' A' ' 42' ' ' LEU . 18.4 mt -48.81 -24.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.97 -54.97 5.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -33.26 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' A' ' 50' ' ' PHE . 15.2 tp10 -54.39 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 3.6 m-30 -112.09 41.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 29.5 m-20 37.19 60.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.617 ' O ' HG22 ' A' ' 52' ' ' THR . 0.7 OUTLIER -123.41 98.46 5.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 19.8 pt-20 -66.51 145.99 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -129.67 94.31 32.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.5 Cg_endo -75.0 145.01 30.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 p-10 -38.25 -54.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.0 pt-20 -37.52 -41.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -99.01 -23.89 15.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.884 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -65.06 -32.47 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -93.32 1.21 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.595 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -115.11 18.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 60' ' ' GLU . 82.0 p -33.91 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.3 p -105.24 161.98 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.892 HG13 HG13 ' A' ' 11' ' ' ILE . 49.3 t -68.76 -51.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ASN . 12.9 tp60 -42.16 -54.67 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' TYR . . . -44.05 -48.65 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -39.63 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.69 ' CG1' HG11 ' A' ' 7' ' ' VAL . 74.8 mt -82.04 -49.4 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.1 t0 -62.53 -13.99 36.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.2 t80 -88.52 -54.64 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.957 HG21 HD11 ' A' ' 3' ' ' ILE . 4.5 mm -64.72 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -84.84 -33.26 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.21 14.42 60.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.605 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.695 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.6 pp20? -72.27 -24.92 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -79.59 -26.79 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 8.4 mtp85 -93.42 -42.15 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.879 HG11 ' CG1' ' A' ' 69' ' ' ILE . 4.9 t -43.42 -49.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -42.5 -37.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.4 ttpt -67.67 -52.96 31.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.936 HG23 ' CB ' ' A' ' 45' ' ' ALA . 41.6 mt -48.88 -23.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 1.043 HG21 HG22 ' A' ' 65' ' ' VAL . 8.1 mm -100.33 -27.67 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -96.86 16.35 61.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' LYS . 19.0 mm-40 -135.37 -45.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.562 ' NE2' ' CD ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.44 -65.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.3 mt -48.22 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 128.93 77.6 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.914 ' CG1' HD22 ' A' ' 32' ' ' LEU . 16.4 m -157.54 160.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.68 177.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.15 -39.95 14.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -42.34 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -40.42 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.42 130.13 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -136.21 -141.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -104.01 -45.54 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 17.8 p-10 -100.24 45.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.5 110.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.42 ' OG ' HG22 ' A' ' 64' ' ' THR . 3.3 m -85.87 80.74 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.813 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.8 p90 -37.69 -37.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.7 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.599 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.4 tm-20 -69.08 -60.43 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.8 m-20 -38.25 -63.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.914 HD22 ' CG1' ' A' ' 17' ' ' VAL . 1.8 mt -96.51 -112.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -177.25 90.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -107.63 64.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.7 20.71 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 109.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.32 29.23 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 9.7 t0 -78.39 -95.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -60.24 -41.44 93.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 41' ' ' GLU . 55.8 t -52.91 -90.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.562 ' CD ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -38.47 -46.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.904 ' C ' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -37.06 -37.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 54' ' ' ILE . 61.8 t -63.01 -68.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mmt -34.87 -54.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.936 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.0 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD13 ' A' ' 10' ' ' ILE . 24.1 mt -44.3 -26.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.38 -52.88 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -34.66 78.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 10' ' ' ILE . 18.6 tp10 -46.94 -59.8 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -131.03 -66.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.7 m-20 156.76 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 52' ' ' THR . 12.4 t -175.29 99.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.67 66.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -49.35 105.76 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.604 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.4 p30 -58.66 -47.38 84.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -45.35 -32.62 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.13 -21.79 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -98.62 18.08 17.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tt0 -104.11 -36.94 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -76.88 -0.98 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.783 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.0 pt -79.8 -55.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ILE . 8.9 t 50.61 20.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 63' ' ' THR . 2.7 p -161.05 -173.45 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.444 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 1.043 HG22 HG21 ' A' ' 11' ' ' ILE . 94.9 t -94.19 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ILE . 2.0 tt0 -39.38 -52.81 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -46.49 -49.62 18.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -29.4 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.879 ' CG1' HG11 ' A' ' 7' ' ' VAL . 82.3 mt -80.59 -66.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -42.31 -28.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' CZ ' HD13 ' A' ' 54' ' ' ILE . 5.0 t80 -79.5 -44.11 21.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.736 HG21 HD11 ' A' ' 3' ' ' ILE . 4.6 mm -63.03 -27.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -78.7 -41.88 29.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.82 -18.82 41.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.619 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.9 pt-20 -66.55 -42.92 86.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.86 -21.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -103.08 -32.94 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 3' ' ' ILE . 54.4 t -52.86 -53.32 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -45.97 -43.2 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -62.23 -48.39 80.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.802 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -51.5 -51.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ILE . . . . . 0.67 HG21 HG22 ' A' ' 65' ' ' VAL . 20.8 mm -72.72 -27.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.52 -25.32 72.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -104.0 -55.81 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 11.9 mm100 -46.9 -64.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.4 mt -60.49 -45.76 92.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.5 53.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -172.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -83.08 178.59 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.2 3.86 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.53 -32.67 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 5.86 28.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 22' ' ' VAL . 54.0 t -113.64 75.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.691 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 41.5 p -78.19 175.48 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.78 -43.56 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.86 50.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.691 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -122.55 95.56 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.32 77.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.1 p90 -39.65 -36.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.02 -69.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -100.24 -48.37 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.255 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 27' ' ' SER . 4.7 m-20 -39.01 -67.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.2 mt -87.0 -86.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.65 97.68 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.73 94.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.83 24.04 7.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 27.36 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.733 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -85.33 -40.14 16.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 1.006 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 m -105.09 -69.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 85.1 t -33.28 -65.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -57.71 -57.38 13.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -39.42 -40.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 39' ' ' THR . 6.2 t -53.55 -72.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' MET . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' VAL . 2.3 mmt -32.73 -53.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.71 -68.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LEU . . . . . 1.032 HD12 HD21 ' A' ' 42' ' ' LEU . 38.4 mt -51.16 -25.5 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 52' ' ' THR . 28.4 mt-10 -73.34 -53.15 11.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -31.79 26.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.51 ' O ' ' C ' ' A' ' 51' ' ' ASP . 32.5 m-85 -114.85 43.17 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' GLU . 38.2 m-20 32.06 56.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 47' ' ' GLU . 12.2 t -100.9 -148.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLU . . . . . 0.635 ' N ' HG23 ' A' ' 52' ' ' THR . 2.1 pt-20 -178.89 66.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.8 HG12 HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -46.45 104.41 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.59 30.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASP . . . . . 0.723 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 60.3 t0 -44.42 -53.2 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.86 -22.66 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -66.14 -29.63 69.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' THR . 2.1 tt0 -72.24 -8.54 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -7.58 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 HG12 ' A' ' 54' ' ' ILE . 2.8 pt -110.46 17.63 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.1 p -35.78 -33.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.1 p -105.03 165.06 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HG21 ' A' ' 11' ' ' ILE . 44.8 t -69.98 -46.09 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.58 -54.29 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.92 -47.62 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -51.25 -21.92 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -92.91 -47.74 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -68.25 -9.23 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -89.72 -57.18 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 3' ' ' ILE . 4.3 mm -60.39 -17.5 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -33.9 15.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.33 12.33 60.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.482 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 31.1 p -85.08 49.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.981 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -114.78 -50.87 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.4 pt-20 -77.28 -52.93 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 2.6 pt-20 -46.92 -24.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -97.0 -33.09 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 3' ' ' ILE . 6.5 t -50.47 -55.34 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HB3' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.02 -46.27 11.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' GLY . 12.9 tttt -58.49 -55.26 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 45' ' ' ALA . 39.3 mt -44.22 -51.68 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.014 HG13 HG13 ' A' ' 65' ' ' VAL . 13.0 mm -72.33 -27.01 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.63 -20.03 79.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -111.81 -59.09 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.497 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 9.4 mm-40 -40.2 -65.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 28' ' ' PHE . 1.5 mt -57.53 -29.66 64.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 88.14 83.88 1.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 35.0 m -152.86 -169.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -87.38 175.23 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.42 57.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.93 -44.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.33 -8.63 48.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.82 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 8.5 t -73.44 121.56 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 p -118.87 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -134.99 32.84 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -177.31 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -145.82 117.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.9 m -67.28 69.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.968 ' CD2' HD12 ' A' ' 15' ' ' LEU . 4.3 m-85 -33.16 -51.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -38.83 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 29' ' ' VAL . 6.7 tm-20 -70.05 -55.43 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' SER . 21.2 t0 -37.78 -65.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -86.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.32 96.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -140.03 77.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.64 30.25 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.754 ' HB3' HD23 ' A' ' 37' ' ' LEU . 1.3 m -155.45 -52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -115.83 44.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.669 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 1.3 t70 -88.5 -85.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.856 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.3 t -78.36 -49.51 13.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 39' ' ' THR . 72.0 t -38.92 -30.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -101.07 -61.91 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.968 HD21 HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -40.05 -46.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.08 HG22 HG23 ' A' ' 54' ' ' ILE . 51.6 t -49.02 -65.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mtp -45.06 -53.41 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.3 -69.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 HD21 ' A' ' 42' ' ' LEU . 40.2 mt -49.81 -22.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.89 -51.28 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.8 -27.37 63.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.6 m-85 -155.74 -82.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.07 97.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.685 HG23 ' O ' ' A' ' 52' ' ' THR . 14.8 t -171.42 94.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -64.84 74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.08 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.52 105.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.98 145.0 31.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.714 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -46.43 -42.44 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -37.81 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.86 -15.9 19.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -71.72 -29.0 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 3.9 tt0 -68.27 -8.39 39.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -14.34 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.676 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 3.4 pt -105.58 18.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 60' ' ' GLU . 77.3 p -35.37 -34.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.8 p -90.86 -144.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.014 HG13 HG13 ' A' ' 11' ' ' ILE . 3.9 t -120.72 -44.67 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.5 tt0 -51.39 -51.75 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -50.87 -36.83 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.532 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -65.82 -22.01 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.3 mp -88.0 -58.62 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -56.03 -18.56 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.03 -46.45 15.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 3' ' ' ILE . 2.5 mm -72.56 -19.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -92.78 -32.43 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.17 -10.45 59.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -52.02 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.02 77.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 73' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HG2' ' A' ' 5' ' ' GLU . 1.6 p -90.11 31.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -112.05 -48.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' HB3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -66.13 -20.37 66.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 2' ' ' THR . 13.5 pt-20 -71.73 -24.78 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -104.35 -21.16 13.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 3' ' ' ILE . 59.4 t -63.11 -41.42 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.24 -38.89 59.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLN . 6.4 mtmp? -60.29 -49.99 75.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.904 HD13 HD23 ' A' ' 46' ' ' LEU . 62.3 mt -49.07 -53.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.999 HG21 HG22 ' A' ' 65' ' ' VAL . 35.5 mm -71.29 -26.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.88 -25.21 72.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mm100 -104.75 -57.06 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' ILE . 27.1 mm-40 -42.01 -64.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.3 mt -63.84 -25.22 68.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.31 60.95 2.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 32.7 m -127.47 -173.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -83.88 179.43 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.89 -12.88 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -98.14 -25.32 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.22 6.95 30.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 8' ' ' LYS . 23.0 t -114.83 136.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -142.99 174.82 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.466 ' O ' ' ND2' ' A' ' 24' ' ' ASN . 1.2 p-10 -92.58 74.66 5.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 2.9 p30 162.21 -28.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.77 150.44 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -119.65 79.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 63' ' ' THR . 3.1 p90 -41.59 -35.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.81 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -37.61 -80.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -95.85 -41.94 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 27.5 t0 -40.33 -59.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.2 mp -101.84 -108.57 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.93 80.53 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -98.6 57.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.19 19.34 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -158.08 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.06 31.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.786 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -75.84 -81.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.418 HG22 ' OD1' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -88.99 18.63 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -108.97 -43.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.43 -42.39 17.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 46' ' ' LEU . 2.2 tt -47.74 -39.2 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.688 HG22 HG23 ' A' ' 54' ' ' ILE . 24.9 t -55.95 -67.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.7 mmt -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.34 -69.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.008 HD12 HD21 ' A' ' 42' ' ' LEU . 15.3 mt -49.23 -23.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -78.84 -52.73 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -34.81 72.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -50.41 -42.07 53.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.3 m-85 -147.73 -74.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.36 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.66 HG23 ' O ' ' A' ' 52' ' ' THR . 12.8 t -171.89 93.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 70.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.688 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -45.5 103.61 0.35 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 144.47 30.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.9 t70 -45.86 -40.52 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.35 -40.82 68.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' C ' HD11 ' A' ' 54' ' ' ILE . 2.3 mt-10 -96.65 -8.47 31.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -83.54 -8.96 59.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.38 -17.91 57.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.12 -11.67 30.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.659 HD13 HG12 ' A' ' 54' ' ' ILE . 3.1 pt -103.12 16.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.614 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -36.73 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.4 p -107.47 165.86 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 110.375 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.999 HG22 HG21 ' A' ' 11' ' ' ILE . 42.3 t -66.98 -50.45 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HA ' HD13 ' A' ' 69' ' ' ILE . 1.8 tt0 -47.8 -54.23 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.38 -19.09 13.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -79.66 1.39 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' VAL . 3.3 mp -109.51 -66.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -46.13 -25.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 69' ' ' ILE . 2.9 t80 -78.38 -40.24 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' ILE . 11.8 mm -70.24 -33.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -82.5 -28.29 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.1 10.87 61.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -128.56 -53.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.609 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -101.06 88.0 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -86.02 12.08 10.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -102.04 -52.42 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.5 pt-20 -52.44 -36.56 54.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 6.5 pt-20 -66.81 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 36.2 mtp180 -84.69 -6.54 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG13 ' A' ' 69' ' ' ILE . 25.3 t -83.15 -34.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 mmtp -62.45 -38.43 89.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 5.8 pttt -66.81 -42.89 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.894 HG23 ' CB ' ' A' ' 45' ' ' ALA . 79.7 mt -59.45 -53.19 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.83 HG21 HG22 ' A' ' 65' ' ' VAL . 15.2 mm -72.11 -24.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -75.29 -25.45 68.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.02 -53.2 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 28.9 mm-40 -48.16 -64.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.827 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -65.78 -43.04 89.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.29 66.35 0.76 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -135.59 178.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.661 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -89.31 176.16 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -95.32 4.21 53.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -39.55 4.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.5 -20.99 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.7 t -81.51 111.87 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.433 ' C ' ' NZ ' ' A' ' 8' ' ' LYS . 13.6 p -119.93 176.29 5.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.426 ' ND2' ' OE1' ' A' ' 66' ' ' GLN . 4.7 m120 -63.8 -45.13 91.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.22 55.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 23' ' ' THR . . . -110.1 90.38 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.565 ' OG ' HG23 ' A' ' 29' ' ' VAL . 5.5 t -70.21 61.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.948 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.815 ' CE1' HG13 ' A' ' 29' ' ' VAL . 20.1 p90 -35.57 -41.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.815 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -43.43 -69.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -91.06 -52.34 4.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -40.7 -61.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.3 mp -97.37 -102.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.94 93.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -150.76 88.99 1.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.35 20.61 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 -80.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.19 29.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.814 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.2 p-10 -83.75 -50.52 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.5 t -95.9 -32.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' VAL . 55.3 t -66.19 -83.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' VAL . 6.0 mt-10 -37.86 -48.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 46' ' ' LEU . 5.0 tt -41.79 -47.91 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' THR . 22.6 t -46.93 -75.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 46.0 mtt -36.18 -53.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.894 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.04 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.006 HD12 HD21 ' A' ' 42' ' ' LEU . 17.9 mt -49.31 -23.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.1 mm-40 -79.23 -52.28 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -35.15 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -43.15 64.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -145.13 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.3 m-20 156.57 99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.625 HG23 ' O ' ' A' ' 52' ' ' THR . 8.7 t -172.93 94.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 5.3 pt-20 -63.66 75.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.668 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -57.16 109.38 1.69 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.46 34.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 21.9 t70 -56.45 -34.96 67.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -54.7 -35.23 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -10.17 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.668 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.29 12.58 29.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.9 tp10 -103.92 -19.24 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -94.73 6.62 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.9 pt -92.49 -56.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.556 ' HB ' HG21 ' A' ' 29' ' ' VAL . 11.3 p 46.54 22.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' C ' ' A' ' 63' ' ' THR . 28.0 p -157.79 176.18 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.83 HG22 HG21 ' A' ' 11' ' ' ILE . 42.2 t -86.5 -53.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HA ' HD12 ' A' ' 69' ' ' ILE . 18.1 tp60 -40.44 -54.18 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.722 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -47.21 -49.21 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -55.32 -30.58 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.942 HG13 HG11 ' A' ' 7' ' ' VAL . 7.8 mt -81.73 -56.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -20.05 8.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -84.92 -49.85 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 3' ' ' ILE . 17.0 mm -59.2 -23.92 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.47 -34.48 15.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.3 19.95 32.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -119.76 -61.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.82 131.65 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -90.67 31.81 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -121.49 -42.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' ILE . 3.0 tt0 -68.93 -52.76 25.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.4 -28.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.6 mtp85 -92.8 -51.24 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 10' ' ' ILE . 5.7 t -43.16 -37.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.9 -43.83 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ARG . 19.6 mttt -57.18 -52.24 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 ' CB ' ' A' ' 45' ' ' ALA . 52.6 mt -46.27 -52.06 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 65' ' ' VAL . 10.9 mm -72.63 -27.61 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.0 -25.27 75.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.8 mm100 -105.04 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 41' ' ' GLU . 27.6 mm-40 -40.87 -64.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -63.32 -51.77 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 106.84 76.39 1.0 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG11 HD22 ' A' ' 32' ' ' LEU . 15.9 m -155.17 -179.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 175.33 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -96.16 -6.18 38.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.35 -43.62 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -25.43 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 p -87.1 113.47 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.2 p -129.44 -162.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -84.5 -48.14 9.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -98.39 55.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -133.02 91.35 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 78.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 63' ' ' THR . 4.3 p90 -38.57 -37.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.65 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.3 tm-20 -74.06 -53.98 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -39.81 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD22 HG11 ' A' ' 17' ' ' VAL . 1.9 mp -89.05 -107.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.28 85.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.628 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -108.55 61.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.73 24.07 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.6 t -174.21 113.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.49 24.23 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.714 ' HA ' HD22 ' A' ' 15' ' ' LEU . 15.9 p-10 -74.65 -50.78 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.051 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -102.48 -60.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 74.7 t -33.67 -57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -65.55 -58.5 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.132 HD21 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -40.8 -39.85 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 39' ' ' THR . 22.0 t -52.11 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -52.5 26.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.914 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.3 -65.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.132 HD12 HD21 ' A' ' 42' ' ' LEU . 13.1 mt -52.46 -21.52 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -81.01 -51.66 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -34.8 78.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -42.27 -44.19 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.71 -73.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.403 ' O ' ' HB ' ' A' ' 52' ' ' THR . 2.7 p-10 168.02 91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.528 HG23 ' O ' ' A' ' 52' ' ' THR . 8.1 t -175.54 105.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 8.3 pt-20 -74.76 110.45 9.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.998 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -58.39 112.19 4.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 144.26 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -44.78 -61.63 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.7 mm-40 -38.69 -29.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.967 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -96.73 -38.82 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -47.69 -30.02 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.05 -40.26 12.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -71.0 -8.69 55.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.9 pt -103.42 20.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 t -36.97 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.8 p -104.69 164.21 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.72 HG22 HG21 ' A' ' 11' ' ' ILE . 61.8 t -70.5 -48.52 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.958 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.7 tt0 -39.47 -54.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -49.78 -44.43 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -57.67 -23.31 50.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.958 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.1 mt -87.06 -42.72 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -17.17 62.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -83.04 -48.77 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG21 HD11 ' A' ' 3' ' ' ILE . 5.1 mm -65.04 -30.0 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -80.38 -35.98 34.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.0 22.6 21.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -96.32 -51.73 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.637 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -45.54 -63.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -92.07 32.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -116.3 -51.08 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 69' ' ' ILE . 11.5 pt-20 -62.84 -52.21 64.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.5 pt-20 -42.95 -32.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -86.92 -40.21 15.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.992 HG11 HG13 ' A' ' 69' ' ' ILE . 37.7 t -47.63 -46.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -52.74 -38.24 60.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.04 -52.99 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.84 HG23 ' CB ' ' A' ' 45' ' ' ALA . 36.7 mt -48.5 -55.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.774 HG21 HG22 ' A' ' 65' ' ' VAL . 11.2 mm -69.6 -26.09 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.71 -25.04 73.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.155 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.8 mm-40 -105.12 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 13.3 mm-40 -43.12 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -55.3 -57.51 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.41 60.06 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.18 -173.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -174.5 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.68 -53.08 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.59 -45.2 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -53.73 -50.08 66.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.14 138.42 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 21' ' ' GLU . 62.1 p -133.54 172.43 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -91.27 39.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.41 37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -125.79 129.08 48.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' PHE . 3.4 m -93.33 76.41 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.4 p90 -35.25 -40.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.08 -75.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -79.2 -59.19 2.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.43 -70.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.1 mt -84.34 -104.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.22 91.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -142.14 79.95 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.13 45.04 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.94 -74.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' OE1' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -92.63 30.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.629 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.6 t0 -67.58 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.066 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 m -76.39 -59.23 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' THR . 5.3 t -30.87 -60.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' OE1' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.31 -60.5 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -38.08 -42.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.066 HG23 ' O ' ' A' ' 39' ' ' THR . 26.3 t -49.66 -66.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -55.51 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.1 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 42' ' ' LEU . 16.5 mt -51.86 -21.85 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -81.47 -53.08 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -34.96 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -62.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -128.63 -66.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 2.1 m-20 157.48 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 72' ' ' ILE . 10.2 t -168.92 108.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 6.3 pt-20 -73.33 94.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.919 HG22 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -39.69 120.58 1.41 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 144.68 30.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 34.5 t0 -65.18 -56.76 11.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -100.45 -41.63 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 54' ' ' ILE . . . -57.28 -17.57 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -10.93 21.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -99.98 -14.89 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.7 pt -74.99 -56.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 64' ' ' THR . 14.9 p 48.56 18.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 63' ' ' THR . 20.3 p -159.16 -170.01 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.774 HG22 HG21 ' A' ' 11' ' ' ILE . 43.9 t -96.05 -54.49 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 14.6 tp60 -38.13 -53.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.819 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -49.06 -47.75 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -54.97 -22.55 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.992 HG13 HG11 ' A' ' 7' ' ' VAL . 14.8 mt -92.7 -53.9 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -23.33 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' HG12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -83.51 -47.38 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.591 ' CD1' HG21 ' A' ' 52' ' ' THR . 7.2 mm -68.67 -16.65 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -89.07 -30.12 18.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 -2.81 67.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -72.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 58.89 82.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -90.34 27.12 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.37 -51.77 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.747 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.5 pt-20 -58.35 -33.57 69.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.93 -39.15 93.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -82.47 -29.99 30.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.791 HG11 HG13 ' A' ' 69' ' ' ILE . 11.9 t -55.83 -39.48 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' GLY . 17.9 mmtp -53.0 -37.13 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 tttt -64.25 -51.45 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.878 HG23 ' CB ' ' A' ' 45' ' ' ALA . 73.7 mt -48.67 -51.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 65' ' ' VAL . 33.6 mm -72.4 -30.28 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.74 -24.74 76.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.95 -58.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 26.9 mm-40 -42.32 -65.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.701 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.7 mt -65.76 -32.29 73.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 72.19 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.85 162.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.3 mptt -71.86 177.14 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 20' ' ' GLU . 8.6 pt20 -84.8 -43.32 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 18.1 mt-10 -62.82 -44.1 97.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -23.44 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 18' ' ' LYS . 3.2 t -83.9 117.62 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -128.29 148.06 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -82.26 75.92 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 176.77 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -49.11 141.13 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.807 ' HA ' HG22 ' A' ' 64' ' ' THR . 7.5 m -96.68 60.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.743 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.3 m-85 -41.89 164.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.4 t 83.49 -50.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -102.35 -60.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -42.56 -91.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.09 97.77 0.12 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.797 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -151.47 75.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -123.71 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -157.48 -70.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 33.98 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.646 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 t0 -79.63 -90.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.2 t -70.05 -53.52 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' OE1' ' A' ' 41' ' ' GLU . 50.2 t -36.28 -35.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.538 ' OE1' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -97.1 -60.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -40.47 -46.93 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.078 HG22 HG23 ' A' ' 54' ' ' ILE . 48.8 t -47.21 -65.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.2 mmt -47.29 -52.53 15.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.878 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.79 -70.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 42' ' ' LEU . 23.0 mt -49.2 -23.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -77.95 -51.02 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -41.35 80.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.6 -34.49 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 5.2 m-85 -143.52 -83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER 156.18 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.639 HG23 ' O ' ' A' ' 52' ' ' THR . 11.2 t -160.17 96.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.0 75.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.078 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.25 107.31 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.584 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 145.07 31.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 4.9 p-10 -45.35 -51.18 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.75 -38.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.96 -22.6 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -64.99 -20.68 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -77.93 -45.42 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -60.0 -15.62 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 67' ' ' ALA . 11.1 pt -109.98 31.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.497 HG23 HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -41.39 -28.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' SER . 62.5 p -91.78 -158.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 11' ' ' ILE . 79.7 t -108.76 -46.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 69' ' ' ILE . 5.0 tp-100 -46.87 -54.0 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -46.66 -49.46 19.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -45.91 -28.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 66' ' ' GLN . 6.5 mt -86.36 -58.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -49.14 -28.05 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 2.9 t80 -81.58 -36.62 28.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.01 -21.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -84.97 -27.99 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.16 -1.52 63.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -129.07 37.82 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.43 68.51 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.489 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 17.5 p -85.94 47.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 1.035 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -113.74 -51.87 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.543 ' HB3' HG21 ' A' ' 69' ' ' ILE . 23.1 pt-20 -73.7 -52.19 14.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -49.08 -25.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -93.37 -37.32 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 3' ' ' ILE . 38.3 t -51.33 -40.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 32.5 mmtm -51.19 -44.27 61.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.0 mttm -60.0 -58.47 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 45' ' ' ALA . 3.3 mt -42.01 -55.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.874 HG13 HG13 ' A' ' 65' ' ' VAL . 16.8 mm -68.85 -29.93 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -70.09 -24.12 76.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' LYS . 6.8 mm-40 -105.91 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' ILE . 30.3 mm-40 -38.39 -68.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HD2' ' A' ' 28' ' ' PHE . 1.7 mt -54.69 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.06 69.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.96 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -178.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.74 3.83 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -39.62 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 23' ' ' THR . 29.1 mt-10 -66.54 -25.51 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 4.9 t -55.96 120.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 21' ' ' GLU . 82.0 p -106.31 -165.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -126.01 37.18 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -178.84 38.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.97 136.77 52.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -75.44 118.8 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 65' ' ' VAL . 3.4 m-85 -94.97 1.83 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.1 t -108.04 -40.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -88.48 -74.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -47.21 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -53.18 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.43 100.79 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.627 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -136.75 77.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.37 44.19 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -171.56 -70.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 30.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.4 t0 -71.59 -88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.933 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -80.4 -48.99 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 98.5 t -37.33 -32.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -99.91 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -39.66 -46.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 39' ' ' THR . 48.2 t -47.52 -73.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' VAL . 31.5 mtt -37.32 -54.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.909 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.15 -70.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 HD21 ' A' ' 42' ' ' LEU . 36.0 mt -48.28 -23.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.1 -53.27 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.93 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' A' ' 49' ' ' GLU . 6.8 tp10 -54.55 -37.35 65.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -145.96 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.4 m-20 159.34 93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.682 ' O ' HG22 ' A' ' 52' ' ' THR . 0.6 OUTLIER -169.76 94.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 77.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.893 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.93 109.72 1.61 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.58 30.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.4 p-10 -54.01 -47.58 71.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -22.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -19.82 12.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -99.05 11.96 37.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 57.8 tt0 -103.67 -24.27 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 -7.06 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 12.3 pt -77.05 -55.46 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.521 ' HA ' HG21 ' A' ' 29' ' ' VAL . 44.6 p 41.09 27.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' C ' ' A' ' 63' ' ' THR . 38.9 p -156.86 173.55 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.874 HG13 HG13 ' A' ' 11' ' ' ILE . 2.8 t -89.45 -41.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.8 tp-100 -54.75 -53.77 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -41.19 -59.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 46' ' ' LEU . . . -42.94 -40.29 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.966 HG13 HG11 ' A' ' 7' ' ' VAL . 9.6 mt -76.09 -60.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.05 -24.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.577 ' OH ' HG23 ' A' ' 52' ' ' THR . 2.8 t80 -84.39 -51.99 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HD11 ' A' ' 3' ' ' ILE . 3.7 mm -57.96 -33.07 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.71 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.09 3.69 85.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -139.76 45.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.3 tp60 -157.68 84.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.701 HG22 HH21 ' A' ' 6' ' ' ARG . 3.3 p -117.69 21.7 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.762 HD13 ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.62 -51.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.0 pt-20 -60.95 -12.81 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 8.5 pt-20 -101.33 -40.9 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.701 HH21 HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -75.61 -30.8 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 46' ' ' LEU . 2.3 t -54.08 -48.81 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HZ2' ' HA ' ' A' ' 24' ' ' ASN . 18.4 mmtt -47.18 -44.1 21.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.3 mttm -63.09 -52.18 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 45' ' ' ALA . 54.8 mt -47.84 -50.99 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.737 HG21 HG22 ' A' ' 65' ' ' VAL . 2.5 mm -73.11 -29.07 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.89 -24.9 76.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.7 mm100 -105.36 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 90.1 mm-40 -40.74 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.793 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -60.99 -41.14 95.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 98.15 77.44 1.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 16' ' ' GLY . 30.2 m -156.64 -172.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 3.7 mppt? -89.91 175.14 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -94.74 -49.63 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -24.01 66.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -56.74 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' C ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -59.59 151.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 24' ' ' ASN . 10.4 p -148.3 -137.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.481 ' HA ' ' HZ2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -111.09 -53.43 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -72.37 -11.73 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.94 120.95 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.6 m -99.16 82.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.647 ' CB ' HD12 ' A' ' 15' ' ' LEU . 11.8 p90 -39.74 -36.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.78 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -100.54 -40.61 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' SER . 16.0 t70 -39.91 -42.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -117.08 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 157.12 99.73 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 38' ' ' ASP . . . -166.76 92.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.72 21.93 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -71.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 23.49 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.793 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.3 p-10 -75.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.4 -56.84 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -41.25 -83.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.532 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.5 mt-10 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD21 ' CD1' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -39.12 -40.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 39' ' ' THR . 26.9 t -54.06 -72.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' VAL . 22.5 mtt -35.6 -52.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.901 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.84 -72.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 7' ' ' VAL . 11.7 mt -46.94 -24.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -75.49 -53.54 8.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.79 78.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HD11 ' A' ' 10' ' ' ILE . 10.2 tp10 -44.07 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -125.36 -62.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.8 m-20 155.41 97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 HD12 ' A' ' 72' ' ' ILE . 12.0 t -175.25 100.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -67.24 62.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.853 HD13 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -43.26 104.72 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.588 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 147.16 33.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.691 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -54.69 -46.24 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.94 -28.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -112.91 -21.67 11.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -87.24 -0.68 57.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -104.69 -33.03 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.65 -2.95 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.852 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 9.8 pt -81.25 -56.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 62' ' ' ILE . 1.2 p 62.74 7.98 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' THR . 17.6 p -158.8 179.04 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -84.98 -40.1 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -49.72 -53.78 22.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.852 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -58.86 -16.34 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -88.58 -27.04 21.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 7' ' ' VAL . 82.2 mt -87.91 -61.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -22.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 54' ' ' ILE . 1.5 t80 -79.39 -46.77 16.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 52' ' ' THR . 25.9 mm -74.31 -12.66 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -98.34 -32.49 11.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.0 2.96 87.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -107.25 -65.42 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -59.22 120.23 8.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -76.13 0.79 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.437 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.537 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -92.46 -51.07 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.673 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.3 pp20? -50.55 -35.34 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.13 -21.99 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 60.2 mtp85 -95.46 -27.91 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 69' ' ' ILE . 55.8 t -60.43 -38.72 78.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -55.06 -38.13 67.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 mtmt -63.96 -57.8 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.871 HG23 ' CB ' ' A' ' 45' ' ' ALA . 43.6 mt -45.61 -51.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 65' ' ' VAL . 26.5 mm -71.87 -26.7 25.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.73 -25.2 74.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.38 -53.99 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 24.4 mm-40 -48.44 -64.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 11' ' ' ILE . 6.5 mt -54.43 -59.52 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.08 53.12 0.36 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.7 t -129.74 -173.68 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.724 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.3 mptt -101.36 179.8 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -96.01 60.37 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -159.3 -46.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -86.06 10.45 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.509 HG12 ' O ' ' A' ' 22' ' ' VAL . 2.7 t -109.81 96.5 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.838 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.8 p -108.71 -168.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -86.52 -43.94 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -93.13 34.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.4 84.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.413 ' O ' ' N ' ' A' ' 29' ' ' VAL . 1.5 m -69.16 69.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.793 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 21.2 p90 -36.27 -34.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 17.3 t -36.35 -74.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -98.41 -40.45 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -44.16 -64.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -94.53 -84.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 162.17 99.34 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.793 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -155.26 88.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.79 15.06 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.605 ' HB3' HD23 ' A' ' 37' ' ' LEU . 5.0 m -117.8 -69.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -101.15 27.41 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.92 -90.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 p -58.63 -57.48 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 70.4 t -38.99 -87.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -38.39 -53.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.093 ' CD2' HD12 ' A' ' 46' ' ' LEU . 1.9 tt -42.23 -52.5 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 54' ' ' ILE . 39.0 t -44.47 -69.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -49.04 11.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -58.75 -69.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.093 HD12 ' CD2' ' A' ' 42' ' ' LEU . 49.9 mt -51.18 -22.16 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -79.48 -50.0 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -34.75 72.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 1.2 tp10 -61.52 -28.41 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 1.1 m-85 -152.69 -80.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 156.07 94.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.615 HG23 ' O ' ' A' ' 52' ' ' THR . 9.4 t -163.94 94.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.48 71.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.6 105.33 0.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 144.73 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.75 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 22.9 t0 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.3 -41.97 63.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.557 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -97.52 -10.13 25.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -75.81 -25.11 56.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -76.66 -20.93 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 3.34 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.1 pt -124.49 26.85 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 60' ' ' GLU . 58.7 p -35.58 -44.63 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 62' ' ' ILE . 21.4 p -90.49 167.97 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 11' ' ' ILE . 50.5 t -71.65 -54.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.935 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -37.19 -54.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.505 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -47.84 -49.64 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -47.2 -26.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.935 HD12 ' HA ' ' A' ' 66' ' ' GLN . 7.1 mt -85.87 -60.82 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -21.52 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' ALA . 3.9 t80 -81.16 -42.89 20.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 52' ' ' THR . 5.5 mm -70.56 -25.86 27.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -87.48 -31.22 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.54 13.46 55.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -105.67 -63.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.57 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -43.62 126.58 4.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.463 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 61.7 p -90.97 40.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.997 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -115.72 -52.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 3.3 pt-20 -68.1 -36.56 79.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 5.7 pt-20 -74.51 -21.85 59.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -93.01 -33.66 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 3' ' ' ILE . 25.3 t -46.92 -45.43 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -46.92 -41.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.6 tttt -64.58 -53.16 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.822 HG23 ' CB ' ' A' ' 45' ' ' ALA . 45.9 mt -47.5 -50.51 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.816 HG13 HG13 ' A' ' 65' ' ' VAL . 2.9 mm -72.86 -31.9 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' HA2' HG21 ' A' ' 22' ' ' VAL . . . -68.64 -25.19 75.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.5 mm-40 -103.67 -59.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 13.3 mm100 -41.79 -64.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.784 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -64.59 -28.49 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.29 72.71 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -137.69 171.08 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -76.94 175.04 9.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.9 51.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.3 -50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 23' ' ' THR . 3.7 mm-40 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG21 ' HA2' ' A' ' 12' ' ' GLY . 30.3 t -68.35 80.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 21' ' ' GLU . 34.9 p -93.26 -159.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -92.97 -45.02 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -97.68 49.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -109.54 121.8 46.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -99.74 75.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 1.2 p90 -37.8 -38.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -40.08 -79.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -78.62 -56.79 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.07 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -94.09 -112.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -172.09 87.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . . . -83.43 50.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.99 43.34 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER 178.37 118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 43.04 28.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.685 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.07 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.99 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.21 -48.96 14.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.6 -71.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -52.14 -54.28 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.948 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -38.99 -45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 39' ' ' THR . 20.5 t -47.45 -64.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.3 mmt -45.33 -55.44 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.822 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.12 -67.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.948 HD12 ' CD2' ' A' ' 42' ' ' LEU . 35.3 mt -50.02 -23.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.06 -52.92 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -35.61 74.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -52.51 -20.53 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -169.63 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.89 94.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.695 HG23 ' O ' ' A' ' 52' ' ' THR . 13.3 t -167.82 88.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -63.3 76.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -57.63 109.68 1.95 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 144.71 30.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 p-10 -53.86 -45.87 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.45 -33.61 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.17 -18.17 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -82.86 -57.41 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -39.28 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.76 40.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 59' ' ' ALA . 7.2 pt -125.79 -55.82 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 64' ' ' THR . 11.4 p 49.72 18.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 63' ' ' THR . 12.0 p -159.84 174.82 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.816 HG13 HG13 ' A' ' 11' ' ' ILE . 23.3 t -87.11 -46.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.7 tt0 -47.01 -52.91 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -43.07 -29.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -78.45 -44.33 24.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.903 HG13 HG11 ' A' ' 7' ' ' VAL . 87.7 mt -68.15 -51.7 45.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.33 -20.6 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -81.94 -48.3 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 3' ' ' ILE . 16.0 mm -62.34 -23.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -88.57 -32.08 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.42 16.01 51.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.68 -56.72 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.38 123.66 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.416 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 1.2 p -85.39 12.4 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.669 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -98.97 -52.22 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 18.8 pt-20 -54.99 -49.45 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.3 pt-20 -49.28 -36.4 20.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -85.0 -29.26 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.749 HG11 HG13 ' A' ' 69' ' ' ILE . 36.4 t -58.18 -38.45 68.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -52.39 -37.93 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLN . 17.5 mttt -61.43 -51.58 68.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.882 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -48.1 -52.18 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG13 ' A' ' 65' ' ' VAL . 41.6 mm -71.81 -28.72 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -71.46 -25.37 75.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.7 mm-40 -104.08 -56.9 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 38.5 mm-40 -42.9 -64.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 28' ' ' PHE . 6.8 mt -57.4 -74.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.94 49.54 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.84 -173.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.43 175.59 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -101.05 -35.38 9.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.36 -33.81 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 1.3 mt-10 -76.46 -45.85 29.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.39 130.79 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 21' ' ' GLU . 72.4 p -137.86 164.93 27.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 10.6 p-10 -78.75 73.06 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 175.73 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.31 164.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -125.97 76.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . 4.4 p90 -38.52 -36.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.735 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.86 -87.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -95.48 -39.56 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 27' ' ' SER . 4.7 t70 -39.25 -58.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.63 -76.87 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 158.94 100.19 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.44 85.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.764 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.08 26.85 7.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -138.81 -80.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD22 ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.19 32.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.474 ' HA ' HD22 ' A' ' 15' ' ' LEU . 13.6 t0 -70.61 -69.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.07 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -87.93 -61.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.8 t -29.16 -52.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.601 ' OE2' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.92 -61.81 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.007 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.85 -40.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.07 HG23 ' O ' ' A' ' 39' ' ' THR . 21.6 t -49.01 -65.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.4 mtp -46.04 -52.71 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.882 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.6 -63.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.007 HD12 ' CD2' ' A' ' 42' ' ' LEU . 21.3 mt -54.37 -20.3 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mm-40 -83.0 -51.54 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.52 78.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -41.48 -61.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -130.86 -68.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 1.5 m-20 161.66 90.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.412 HG23 ' OH ' ' A' ' 71' ' ' TYR . 2.2 t -177.71 115.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -80.01 105.85 11.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.995 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -51.8 112.45 3.21 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.94 144.58 30.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLU . 27.9 t0 -46.55 -61.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -40.17 -28.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -94.56 -48.83 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB1' ' OG1' ' A' ' 39' ' ' THR . . . -40.51 -38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.93 -39.75 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLU . 2.0 mttm -69.19 -8.74 48.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.479 HG22 ' HB1' ' A' ' 67' ' ' ALA . 24.0 pt -111.33 28.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.735 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.44 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.3 p -108.15 168.01 9.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HG13 ' A' ' 11' ' ' ILE . 47.4 t -72.21 -45.45 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . 9.9 tp60 -35.87 -54.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -55.92 -52.54 63.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -38.77 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.749 HG13 HG11 ' A' ' 7' ' ' VAL . 2.8 mp -83.71 -52.91 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' ALA . 30.1 t70 -55.81 -18.94 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CD2' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -87.19 -53.14 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 46' ' ' LEU . 3.9 mm -58.42 -39.15 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -75.79 -30.68 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.66 60.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.2 50.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 0.789 . . . . 0.0 109.622 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 10.5 pt20 -131.91 158.7 40.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.417 HG22 ' OE2' ' A' ' 5' ' ' GLU . 1.8 p -86.69 43.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -116.77 -52.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.9 pt-20 -67.27 -19.5 65.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 2' ' ' THR . 9.8 pt-20 -67.77 -25.59 65.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.455 HH21 ' HG3' ' A' ' 49' ' ' GLU . 8.2 mtp85 -102.34 -29.35 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 69' ' ' ILE . 77.4 t -55.25 -46.6 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' CG ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.51 -43.67 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -55.7 24.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 HD23 ' A' ' 46' ' ' LEU . 47.4 mt -44.56 -51.49 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.798 HG13 HG13 ' A' ' 65' ' ' VAL . 16.3 mm -72.27 -30.6 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -67.98 -20.26 72.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -112.51 -60.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.9 mm-40 -37.84 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.4 mt -57.47 -46.28 83.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 103.64 90.38 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 28' ' ' PHE . 29.5 m -156.46 -169.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -178.61 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.54 34.27 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.24 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.12 -7.67 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.754 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 2.9 t -73.18 79.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.784 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.0 p -83.88 -139.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -121.22 -63.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -67.08 -11.23 56.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -53.31 106.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 2.2 m -83.35 80.2 9.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.818 ' CD2' HD12 ' A' ' 15' ' ' LEU . 7.2 m-85 -39.54 -42.4 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.939 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -39.98 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.652 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.9 tm-20 -75.17 -51.67 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' SER . 7.0 t70 -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.3 mt -99.59 -102.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 176.48 92.18 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -86.08 50.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.57 36.61 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -175.64 117.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER 39.19 42.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.998 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.3 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.978 ' O ' HG23 ' A' ' 43' ' ' VAL . 70.5 p -67.7 -52.61 35.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 60.9 t -38.26 -79.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.75 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 46' ' ' LEU . 1.2 tt -43.17 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 39' ' ' THR . 12.7 t -54.23 -62.52 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 25.2 mmt -47.99 -54.75 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.872 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.57 -65.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.888 HD23 HD13 ' A' ' 10' ' ' ILE . 12.0 mt -53.92 -20.61 6.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -80.61 -50.53 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -34.33 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.775 ' OE1' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.62 -75.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -85.05 -51.62 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.1 t70 84.29 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -135.58 9.86 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CG ' ' C ' ' A' ' 52' ' ' THR . 1.5 pt-20 39.18 75.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.859 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -64.46 111.89 6.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 144.59 30.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.3 t70 -54.18 -34.27 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.42 -32.08 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -109.47 -6.05 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.39 4.4 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ASP . 24.6 tt0 -102.05 -35.45 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.81 1.86 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.5 pt -78.6 -55.62 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.939 ' HB ' HG21 ' A' ' 29' ' ' VAL . 8.3 p 46.99 22.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.7 p -158.04 172.64 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG13 ' A' ' 11' ' ' ILE . 21.6 t -89.51 -35.78 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.524 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.7 tp60 -58.14 -53.31 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -39.92 -54.86 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -46.11 -44.6 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.964 HG13 HG11 ' A' ' 7' ' ' VAL . 5.4 mt -69.22 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.82 -26.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.0 t80 -83.44 -47.7 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.651 HG21 HD11 ' A' ' 3' ' ' ILE . 17.6 mm -58.09 -23.35 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -88.72 -51.39 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.53 -26.03 4.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -66.63 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.27 81.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.617 ' OG1' ' CD ' ' A' ' 6' ' ' ARG . 10.6 t -82.63 49.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -108.98 -52.67 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.966 ' HB2' HD13 ' A' ' 69' ' ' ILE . 10.1 pt-20 -77.48 -46.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.3 pt-20 -62.74 -21.57 65.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.617 ' CD ' ' OG1' ' A' ' 2' ' ' THR . 48.9 mtp180 -99.51 -20.45 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 3' ' ' ILE . 1.8 t -62.32 -40.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -53.94 -32.36 53.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -60.35 -55.32 35.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 46' ' ' LEU . 11.9 mt -44.94 -53.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.836 HD11 HD12 ' A' ' 42' ' ' LEU . 20.8 mm -71.03 -25.8 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.67 -25.24 72.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.6 mm-40 -105.33 -57.71 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.491 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 23.7 mm-40 -42.47 -64.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD13 ' CB ' ' A' ' 34' ' ' ALA . 2.1 mt -55.76 -65.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.94 60.72 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG11 HD22 ' A' ' 32' ' ' LEU . 2.0 t -137.27 167.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 175.0 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 14.26 20.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.34 -35.99 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -79.37 -15.91 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG21 ' HA2' ' A' ' 12' ' ' GLY . 14.4 t -92.09 130.88 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 p -149.3 174.5 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.8 p-10 -89.08 75.33 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.4 p-10 162.55 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 148.25 43.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -116.26 80.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HA ' HD12 ' A' ' 32' ' ' LEU . 6.9 p90 -40.31 -35.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.83 -82.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 29' ' ' VAL . 12.2 tm-20 -93.62 -42.01 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 31.1 t0 -40.26 -61.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.6 mt -98.73 -84.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 164.4 98.81 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -156.61 89.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -123.22 31.67 5.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 t -144.4 -72.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 29.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.2 t0 -72.43 -83.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.032 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -76.81 -54.64 6.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' THR . 27.4 t -36.78 -67.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -56.75 -55.95 27.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.929 HD21 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -39.47 -46.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 39' ' ' THR . 21.5 t -47.69 -61.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 6.9 mtt -46.35 -55.94 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.87 -65.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 10' ' ' ILE . 36.4 mt -54.05 -20.12 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -81.83 -50.17 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -34.39 64.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -72.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 72' ' ' ILE . 3.8 m-30 -94.31 -48.18 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t70 85.18 82.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.715 HG23 ' OH ' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -141.15 13.23 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.3 pt-20 35.3 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -79.05 113.63 37.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.855 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.95 145.52 31.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLU . 6.0 p-10 -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -26.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -22.54 12.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.739 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -95.18 12.04 30.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -100.8 -21.54 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -16.74 35.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.729 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.3 pt -76.97 -56.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.719 ' OG1' HG21 ' A' ' 29' ' ' VAL . 1.6 t 43.79 24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' THR . 31.7 p -157.82 177.65 11.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.808 HG22 HG21 ' A' ' 11' ' ' ILE . 11.7 t -87.06 -51.4 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -45.49 -53.2 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -52.61 -35.06 53.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -64.47 -11.97 39.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.966 HD13 ' HB2' ' A' ' 4' ' ' GLU . 30.4 mt -97.05 -47.55 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.28 -21.81 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.715 ' OH ' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -83.46 -50.43 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 3' ' ' ILE . 2.2 mm -60.07 -27.12 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.78 -36.15 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.62 -16.16 28.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -122.16 53.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -142.81 70.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.41 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 p -80.55 5.7 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -91.41 -51.55 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' ' 69' ' ' ILE . 1.2 tm-20 -54.69 -57.48 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -43.41 -30.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -90.83 -33.84 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 3' ' ' ILE . 53.9 t -56.16 -41.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.2 mmtp -53.66 -33.44 55.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -62.14 -49.9 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.3 mt -53.64 -61.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.591 HG21 HG22 ' A' ' 65' ' ' VAL . 23.6 mm -63.12 -23.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -81.64 -17.55 70.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.0 mm100 -112.78 -64.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 6.7 mm-40 -36.96 -64.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 34' ' ' ALA . 1.6 mt -55.49 -70.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.47 62.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -143.59 -175.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' HD3' ' N ' ' A' ' 18' ' ' LYS . 1.3 mppt? -86.74 179.19 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -104.6 43.21 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -142.81 -50.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 23' ' ' THR . 6.8 mm-40 -59.35 -38.33 80.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 65' ' ' VAL . 89.9 t -65.59 118.55 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.677 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 43.3 p -123.77 176.04 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -72.81 -38.61 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -100.02 51.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -140.68 107.69 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -80.2 74.15 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 15' ' ' LEU . 20.8 p90 -33.06 -38.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.8 t -39.43 -63.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' ASP . 2.6 tm-20 -104.81 -51.12 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -37.04 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -80.88 -107.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.95 83.62 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 15' ' ' LEU . . . -141.42 82.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.95 40.85 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.36 33.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.602 ' CB ' ' HB1' ' A' ' 34' ' ' ALA . 7.3 p-10 -78.24 -50.93 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.027 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -101.83 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG12 ' OE1' ' A' ' 41' ' ' GLU . 13.2 t -36.75 -59.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -62.78 -58.43 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.023 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.8 -43.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 39' ' ' THR . 33.3 t -50.54 -66.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtt -43.56 -53.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.95 -71.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.023 HD12 ' CD2' ' A' ' 42' ' ' LEU . 45.3 mt -47.42 -24.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -76.14 -52.4 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -35.84 81.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -28.9 56.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -156.22 -82.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.58 92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 52' ' ' THR . 15.2 t -164.68 90.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.19 73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.905 HG23 HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -50.33 106.5 0.65 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.03 161.62 38.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.581 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -56.82 -53.08 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.2 pt-20 -44.29 -35.19 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -95.86 -22.25 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.14 -10.69 52.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -85.98 -36.03 20.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 5.5 pt -101.44 21.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -33.69 -36.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.44 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.6 p -108.1 166.27 10.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -69.61 -45.62 77.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -38.32 -54.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -53.22 -51.52 61.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -40.11 -29.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 4' ' ' GLU . 29.1 mt -83.7 -67.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -25.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 4.9 t80 -77.17 -44.72 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.654 HG21 HD11 ' A' ' 3' ' ' ILE . 5.3 mm -67.79 -26.51 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.635 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 7.9 m-80 -80.49 -36.99 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.87 -19.8 23.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -94.72 -62.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.17 84.67 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 73' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.409 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -84.38 10.56 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -98.84 -51.78 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 25.2 pt-20 -54.73 -48.65 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -50.57 -38.2 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -82.1 -31.41 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.912 HG11 HG13 ' A' ' 69' ' ' ILE . 17.8 t -56.67 -36.55 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -54.85 -32.42 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -51.88 52.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 45' ' ' ALA . 78.9 mt -49.9 -54.33 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.986 HG13 HG13 ' A' ' 65' ' ' VAL . 11.5 mm -70.46 -30.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -64.67 -25.25 70.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -60.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 20.0 mm-40 -40.53 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.858 ' HG ' HG23 ' A' ' 11' ' ' ILE . 5.3 mt -45.82 -54.44 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' HG13 ' A' ' 17' ' ' VAL . . . 111.12 79.97 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 28' ' ' PHE . 29.2 m -151.22 -168.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -177.63 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -120.08 63.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.62 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.9 -8.84 52.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 8' ' ' LYS . 3.2 t -73.48 135.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.969 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 65.8 p -128.59 -174.23 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -91.45 -49.4 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -90.93 48.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.969 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.22 101.36 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.72 ' HA ' HG22 ' A' ' 64' ' ' THR . 71.9 m -75.3 70.6 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.674 ' CD2' HD12 ' A' ' 15' ' ' LEU . 5.4 m-85 -33.48 -49.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -35.66 -65.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -88.86 -60.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 1.5 m-20 -38.36 -59.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -105.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.19 95.68 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -81.82 51.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.64 44.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER 174.61 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER 38.12 43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.67 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 4.0 t0 -73.39 -88.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.055 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 t -71.45 -53.98 12.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.514 ' N ' HG23 ' A' ' 39' ' ' THR . 57.5 t -33.74 -65.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 1.1 mp0 -60.59 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.011 ' CD2' HD12 ' A' ' 46' ' ' LEU . 4.7 tt -38.44 -47.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.055 HG23 ' O ' ' A' ' 39' ' ' THR . 38.2 t -47.44 -74.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 26.7 mmt -35.98 -57.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.877 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.06 -73.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 42' ' ' LEU . 23.3 mt -44.98 -26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -73.72 -55.61 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -32.33 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -135.01 34.97 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.7 t0 51.92 86.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.676 ' O ' HG22 ' A' ' 52' ' ' THR . 0.7 OUTLIER -155.72 94.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -62.2 147.83 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.806 HG23 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -132.85 96.08 18.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.1 Cg_endo -74.98 145.77 31.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.883 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.7 p-10 -38.64 -53.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.1 tp10 -37.98 -42.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.507 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.77 -22.54 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.18 -26.45 66.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 63' ' ' THR . 2.6 tm-20 -70.99 -6.58 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -7.05 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 2.8 pt -108.57 15.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.614 ' HB ' HG21 ' A' ' 29' ' ' VAL . 61.6 p -35.65 -34.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.1 p -96.39 154.62 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.986 HG13 HG13 ' A' ' 11' ' ' ILE . 11.8 t -67.31 -38.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.3 tt0 -53.56 -54.07 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -47.4 -42.55 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -59.4 -34.39 72.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.912 HG13 HG11 ' A' ' 7' ' ' VAL . 1.7 mt -72.45 -57.69 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -15.25 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 15.8 t80 -82.06 -47.23 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 3' ' ' ILE . 5.4 mm -67.81 -22.06 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -90.52 -31.09 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.26 13.5 54.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.39 -63.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 64.63 -90.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.23 9.77 14.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -98.85 -52.19 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 20.3 pt-20 -53.44 -47.39 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -53.53 -35.09 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.7 -23.78 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.86 HG11 HG13 ' A' ' 69' ' ' ILE . 41.1 t -64.05 -37.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' CG1' ' A' ' 22' ' ' VAL . 19.1 mmtp -58.16 -28.35 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -72.5 -56.59 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.889 HG23 ' CB ' ' A' ' 45' ' ' ALA . 74.7 mt -49.42 -68.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.586 HG13 HG13 ' A' ' 65' ' ' VAL . 13.8 mm -44.81 -29.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.84 -90.23 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -37.54 -40.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 15.6 mm-40 -66.3 -86.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.5 mt -50.17 -60.88 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 114.89 83.05 1.09 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.69 HG21 ' CE2' ' A' ' 28' ' ' PHE . 1.8 t -141.09 166.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -84.51 175.05 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -5.38 59.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -114.82 4.11 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.4 mt-10 -121.35 8.18 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 24.7 t -111.91 97.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.821 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.1 p -111.34 -166.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -99.39 -32.47 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -108.52 49.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.821 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -115.43 104.23 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' PHE . 4.5 m -71.25 68.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 65' ' ' VAL . 2.9 m-85 -34.64 -45.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.809 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -40.4 -71.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' H ' HG23 ' A' ' 29' ' ' VAL . 10.7 tm-20 -78.86 -63.04 1.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -38.5 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.5 mt -94.98 -111.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.84 83.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.916 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -86.73 50.47 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.06 33.16 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.02 117.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.53 26.9 14.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.916 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 t0 -71.95 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.0 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 m -67.79 -56.25 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' THR . 66.3 t -38.22 -85.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' VAL . 2.0 mt-10 -38.08 -53.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -46.51 -53.55 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 39' ' ' THR . 21.9 t -41.6 -74.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 mmt -43.15 -52.35 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.889 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -54.96 -72.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 42' ' ' LEU . 19.1 mt -47.5 -24.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.84 -51.3 11.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -42.32 76.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -42.58 -54.32 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -131.36 -74.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 155.8 98.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.619 ' O ' HG22 ' A' ' 52' ' ' THR . 0.3 OUTLIER -177.83 100.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 130.82 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.894 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -111.8 108.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 144.68 30.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.9 p-10 -51.36 -46.88 62.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.83 -21.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -17.41 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.894 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . . . -102.19 12.0 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.3 tt0 -102.79 -38.44 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -73.93 -4.66 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.717 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.8 pt -71.66 -57.38 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 29' ' ' VAL . 12.2 p 46.85 21.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 63' ' ' THR . 67.5 p -155.43 -176.62 6.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' PHE . 88.6 t -98.58 -37.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -54.21 -52.9 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -38.67 -59.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -44.72 -44.33 9.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -67.86 -67.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -26.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 9.2 t80 -78.03 -42.57 32.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.707 HG21 ' CD1' ' A' ' 3' ' ' ILE . 20.1 mm -72.15 -26.06 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -88.83 -30.7 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.95 8.43 70.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -110.83 -75.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.761 HG23 ' O ' ' A' ' 2' ' ' THR . 10.4 t -91.79 60.92 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -111.93 -51.81 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.8 pt-20 -90.16 -50.98 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -47.85 -30.62 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' CD ' ' OG1' ' A' ' 2' ' ' THR . 25.4 mtp85 -87.52 -39.37 15.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -41.53 -57.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -40.75 -40.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -67.62 -48.25 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 45' ' ' ALA . 50.0 mt -51.57 -39.47 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.999 HG13 HG13 ' A' ' 65' ' ' VAL . 20.4 mm -85.06 -23.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -98.66 17.14 58.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' LYS . 37.9 mm-40 -135.65 -49.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -70.01 -66.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.3 mt -42.52 -55.94 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 118.47 77.62 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 16' ' ' GLY . 18.8 m -158.33 -176.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 176.23 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -107.96 50.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.03 -46.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG12 ' HG3' ' A' ' 8' ' ' LYS . 61.5 t -88.14 106.03 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -110.18 -170.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.54 26.14 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.51 30.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -105.51 102.76 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ASP . 15.9 m -64.47 76.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.683 ' CD1' HD12 ' A' ' 15' ' ' LEU . 1.3 t80 -35.83 -41.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -39.83 -77.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.757 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -91.07 -46.14 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 34.7 t70 -39.07 -64.42 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD22 HG11 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -97.36 -96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.147 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -106.05 57.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.77 24.27 13.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -176.16 115.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 68.54 20.21 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.691 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 5.3 t0 -64.08 -85.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.026 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.0 p -76.5 -59.92 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.3 t -32.48 -69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -57.06 -56.41 22.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.089 HD11 HD12 ' A' ' 46' ' ' LEU . 1.2 tm? -39.5 -46.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 39' ' ' THR . 15.3 t -42.46 -60.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mmt -52.56 -50.32 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -56.31 -71.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.089 HD12 HD11 ' A' ' 42' ' ' LEU . 9.9 mt -47.99 -24.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -77.57 -54.34 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -33.92 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.7 -89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -92.58 -34.11 14.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.9 t70 86.51 80.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.937 HG21 HD13 ' A' ' 72' ' ' ILE . 4.3 t -131.68 12.88 4.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER 34.67 80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.962 HG22 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -46.86 111.14 1.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 144.37 30.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t70 -58.41 -53.28 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.0 pt-20 -38.32 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.939 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.05 -39.26 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -58.15 -26.72 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -2.8 42.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -10.9 13.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 58' ' ' GLU . 22.3 pt -84.07 -52.79 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.518 ' C ' HG23 ' A' ' 64' ' ' THR . 4.7 p 40.88 26.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 63' ' ' THR . 40.7 p -156.84 166.77 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.999 HG13 HG13 ' A' ' 11' ' ' ILE . 39.4 t -85.95 -25.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.0 tp-100 -70.79 -51.82 24.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -50.76 -33.92 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -70.15 -24.66 63.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.833 ' CG1' HG11 ' A' ' 7' ' ' VAL . 89.5 mt -86.28 -50.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.76 -21.46 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.16 -42.83 22.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.937 HD13 HG21 ' A' ' 52' ' ' THR . 1.5 mm -71.01 -24.82 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.99 -35.8 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.43 19.72 38.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -88.91 -48.12 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -88.47 93.92 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.482 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 47.4 p -89.14 45.85 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.983 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -111.5 -51.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -76.18 -52.69 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.8 pt-20 -50.54 -24.04 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -97.23 -33.12 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -46.6 -43.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.17 -45.36 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLN . 64.0 mttt -59.52 -53.55 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.939 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.8 mt -46.66 -50.67 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.892 HG13 HG13 ' A' ' 65' ' ' VAL . 11.8 mm -73.12 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -74.45 -23.59 75.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -105.9 -51.12 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 37' ' ' LEU . 32.0 mm-40 -51.7 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.681 ' HG ' HG23 ' A' ' 11' ' ' ILE . 3.5 mt -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.73 4.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.85 -167.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -175.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -123.94 -42.84 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.71 -30.13 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.24 -27.42 32.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -73.03 115.7 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.5 p -87.29 178.07 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLN . 5.8 p30 -91.16 -43.16 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.62 -12.59 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 32' ' ' LEU . . . -49.76 123.95 8.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 m -99.83 58.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.726 ' C ' HG23 ' A' ' 29' ' ' VAL . 2.3 p90 -38.63 159.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.726 HG23 ' C ' ' A' ' 28' ' ' PHE . 2.8 t 85.31 -47.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.371 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -104.69 -24.71 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -108.68 -87.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -45.74 -94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.78 99.39 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.09 86.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.04 38.49 3.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 37' ' ' LEU . 8.5 t -152.52 -57.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -118.51 44.86 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CG ' ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -78.89 -48.98 13.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.039 ' O ' HG23 ' A' ' 43' ' ' VAL . 6.7 t -113.06 -55.62 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.539 ' N ' HG23 ' A' ' 39' ' ' THR . 44.1 t -39.62 -33.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -91.31 -58.89 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD21 ' CD1' ' A' ' 46' ' ' LEU . 1.4 tt -40.3 -42.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.039 HG23 ' O ' ' A' ' 39' ' ' THR . 38.9 t -50.44 -64.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 22.0 mmt -44.98 -55.61 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.939 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.76 -69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.972 ' CD1' HD21 ' A' ' 42' ' ' LEU . 18.4 mt -48.81 -24.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.97 -54.97 5.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -33.26 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' A' ' 50' ' ' PHE . 15.2 tp10 -54.39 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 3.6 m-30 -112.09 41.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 29.5 m-20 37.19 60.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.617 ' O ' HG22 ' A' ' 52' ' ' THR . 0.7 OUTLIER -123.41 98.46 5.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 19.8 pt-20 -66.51 145.99 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -129.67 94.31 32.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.5 Cg_endo -75.0 145.01 30.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 p-10 -38.25 -54.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.0 pt-20 -37.52 -41.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -99.01 -23.89 15.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.884 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -65.06 -32.47 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -93.32 1.21 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.595 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -115.11 18.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 60' ' ' GLU . 82.0 p -33.91 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.3 p -105.24 161.98 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.892 HG13 HG13 ' A' ' 11' ' ' ILE . 49.3 t -68.76 -51.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ASN . 12.9 tp60 -42.16 -54.67 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' TYR . . . -44.05 -48.65 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -39.63 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.69 ' CG1' HG11 ' A' ' 7' ' ' VAL . 74.8 mt -82.04 -49.4 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.1 t0 -62.53 -13.99 36.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.2 t80 -88.52 -54.64 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.957 HG21 HD11 ' A' ' 3' ' ' ILE . 4.5 mm -64.72 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -84.84 -33.26 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.21 14.42 60.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -117.22 -63.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.74 143.21 51.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 p 52.97 19.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -142.97 -49.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.695 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.6 pp20? -72.27 -24.92 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -79.59 -26.79 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 8.4 mtp85 -93.42 -42.15 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.879 HG11 ' CG1' ' A' ' 69' ' ' ILE . 4.9 t -43.42 -49.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -42.5 -37.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.4 ttpt -67.67 -52.96 31.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.936 HG23 ' CB ' ' A' ' 45' ' ' ALA . 41.6 mt -48.88 -23.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 1.043 HG21 HG22 ' A' ' 65' ' ' VAL . 8.1 mm -100.33 -27.67 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -96.86 16.35 61.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' LYS . 19.0 mm-40 -135.37 -45.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.562 ' NE2' ' CD ' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.44 -65.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.3 mt -48.22 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 128.93 77.6 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.914 ' CG1' HD22 ' A' ' 32' ' ' LEU . 16.4 m -157.54 160.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.68 177.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.15 -39.95 14.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -42.34 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -40.42 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.42 130.13 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -136.21 -141.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -104.01 -45.54 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 17.8 p-10 -100.24 45.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.5 110.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.42 ' OG ' HG22 ' A' ' 64' ' ' THR . 3.3 m -85.87 80.74 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.813 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.8 p90 -37.69 -37.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.7 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.4 tm-20 -69.08 -60.43 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.8 m-20 -38.25 -63.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.914 HD22 ' CG1' ' A' ' 17' ' ' VAL . 1.8 mt -96.51 -112.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -177.25 90.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -107.63 64.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.7 20.71 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 109.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.32 29.23 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 9.7 t0 -78.39 -95.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -60.24 -41.44 93.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 41' ' ' GLU . 55.8 t -52.91 -90.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.562 ' CD ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -38.47 -46.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.904 ' C ' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -37.06 -37.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 54' ' ' ILE . 61.8 t -63.01 -68.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mmt -34.87 -54.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.936 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.0 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD13 ' A' ' 10' ' ' ILE . 24.1 mt -44.3 -26.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.38 -52.88 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -34.66 78.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 10' ' ' ILE . 18.6 tp10 -46.94 -59.8 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -131.03 -66.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.7 m-20 156.76 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.617 HG23 ' O ' ' A' ' 52' ' ' THR . 12.4 t -175.29 99.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.67 66.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -49.35 105.76 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.604 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.4 p30 -58.66 -47.38 84.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -45.35 -32.62 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.13 -21.79 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -98.62 18.08 17.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tt0 -104.11 -36.94 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -76.88 -0.98 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.783 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.0 pt -79.8 -55.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ILE . 8.9 t 50.61 20.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 63' ' ' THR . 2.7 p -161.05 -173.45 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.444 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 1.043 HG22 HG21 ' A' ' 11' ' ' ILE . 94.9 t -94.19 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ILE . 2.0 tt0 -39.38 -52.81 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -46.49 -49.62 18.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -29.4 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.879 ' CG1' HG11 ' A' ' 7' ' ' VAL . 82.3 mt -80.59 -66.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -42.31 -28.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' CZ ' HD13 ' A' ' 54' ' ' ILE . 5.0 t80 -79.5 -44.11 21.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.736 HG21 HD11 ' A' ' 3' ' ' ILE . 4.6 mm -63.03 -27.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.3 m120 -78.7 -41.88 29.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.82 -18.82 41.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -62.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.619 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.66 111.48 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.401 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 2.6 p -90.28 35.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -120.25 -47.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.9 pt-20 -66.55 -42.92 86.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CD ' ' HA ' ' A' ' 2' ' ' THR . 1.1 pt-20 -50.86 -21.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -103.08 -32.94 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 3' ' ' ILE . 54.4 t -52.86 -53.32 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -45.97 -43.2 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -62.23 -48.39 80.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.802 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -51.5 -51.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.67 HG21 HG22 ' A' ' 65' ' ' VAL . 20.8 mm -72.72 -27.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.52 -25.32 72.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -104.0 -55.81 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 11.9 mm100 -46.9 -64.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.4 mt -60.49 -45.76 92.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.5 53.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -172.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -83.08 178.59 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.2 3.86 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.53 -32.67 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 5.86 28.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.5 HG12 ' O ' ' A' ' 22' ' ' VAL . 54.0 t -113.64 75.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.691 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 41.5 p -78.19 175.48 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.78 -43.56 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.86 50.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.691 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -122.55 95.56 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.32 77.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.1 p90 -39.65 -36.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.02 -69.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -100.24 -48.37 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.255 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 27' ' ' SER . 4.7 m-20 -39.01 -67.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.2 mt -87.0 -86.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.65 97.68 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.73 94.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.83 24.04 7.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 27.36 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.733 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -85.33 -40.14 16.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 1.006 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 m -105.09 -69.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 85.1 t -33.28 -65.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -57.71 -57.38 13.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -39.42 -40.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 39' ' ' THR . 6.2 t -53.55 -72.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' MET . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' VAL . 2.3 mmt -32.73 -53.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.71 -68.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 1.032 HD12 HD21 ' A' ' 42' ' ' LEU . 38.4 mt -51.16 -25.5 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 52' ' ' THR . 28.4 mt-10 -73.34 -53.15 11.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -31.79 26.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.51 ' O ' ' C ' ' A' ' 51' ' ' ASP . 32.5 m-85 -114.85 43.17 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' GLU . 38.2 m-20 32.06 56.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 47' ' ' GLU . 12.2 t -100.9 -148.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLU . . . . . 0.635 ' N ' HG23 ' A' ' 52' ' ' THR . 2.1 pt-20 -178.89 66.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.8 HG12 HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -46.45 104.41 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.59 30.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.723 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 60.3 t0 -44.42 -53.2 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.86 -22.66 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -66.14 -29.63 69.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' THR . 2.1 tt0 -72.24 -8.54 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -7.58 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 HG12 ' A' ' 54' ' ' ILE . 2.8 pt -110.46 17.63 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.1 p -35.78 -33.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.1 p -105.03 165.06 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HG21 ' A' ' 11' ' ' ILE . 44.8 t -69.98 -46.09 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.58 -54.29 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.92 -47.62 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -51.25 -21.92 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -92.91 -47.74 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -68.25 -9.23 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -89.72 -57.18 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 3' ' ' ILE . 4.3 mm -60.39 -17.5 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -91.48 -33.9 15.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.33 12.33 60.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.0 -50.89 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -40.07 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.981 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.4 pt-20 -77.28 -52.93 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.441 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 2.6 pt-20 -46.92 -24.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -97.0 -33.09 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 3' ' ' ILE . 6.5 t -50.47 -55.34 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HB3' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.02 -46.27 11.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' GLY . 12.9 tttt -58.49 -55.26 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 45' ' ' ALA . 39.3 mt -44.22 -51.68 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.014 HG13 HG13 ' A' ' 65' ' ' VAL . 13.0 mm -72.33 -27.01 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.63 -20.03 79.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -111.81 -59.09 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 10' ' ' ILE . 9.0 mm100 -40.2 -65.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 28' ' ' PHE . 1.5 mt -57.53 -29.66 64.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 88.14 83.88 1.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 35.0 m -152.86 -169.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -87.38 175.23 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.42 57.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.93 -44.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.33 -8.63 48.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.82 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 8.5 t -73.44 121.56 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 p -118.87 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -134.99 32.84 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -177.31 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -145.82 117.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.9 m -67.28 69.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.968 ' CD2' HD12 ' A' ' 15' ' ' LEU . 4.3 m-85 -33.16 -51.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.579 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -38.83 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 29' ' ' VAL . 6.7 tm-20 -70.05 -55.43 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' SER . 21.2 t0 -37.78 -65.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -86.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.32 96.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -140.03 77.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.64 30.25 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.754 ' HB3' HD23 ' A' ' 37' ' ' LEU . 1.3 m -155.45 -52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -115.83 44.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.669 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 1.3 t70 -88.5 -85.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.856 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.3 t -78.36 -49.51 13.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 39' ' ' THR . 72.0 t -38.92 -30.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -101.07 -61.91 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.968 HD21 HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -40.05 -46.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.08 HG22 HG23 ' A' ' 54' ' ' ILE . 51.6 t -49.02 -65.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mtp -45.06 -53.41 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.3 -69.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 HD21 ' A' ' 42' ' ' LEU . 40.2 mt -49.81 -22.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.89 -51.28 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.8 -27.37 63.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.6 m-85 -155.74 -82.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.07 97.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 52' ' ' THR . 14.8 t -171.42 94.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -64.84 74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.08 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.52 105.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.565 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.98 145.0 31.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.714 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -46.43 -42.44 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -37.81 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.86 -15.9 19.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -71.72 -29.0 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 3.9 tt0 -68.27 -8.39 39.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -14.34 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.676 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 3.4 pt -105.58 18.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 60' ' ' GLU . 77.3 p -35.37 -34.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.8 p -90.86 -144.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.014 HG13 HG13 ' A' ' 11' ' ' ILE . 3.9 t -120.72 -44.67 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.5 tt0 -51.39 -51.75 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -50.87 -36.83 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.532 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -65.82 -22.01 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.3 mp -88.0 -58.62 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -56.03 -18.56 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.03 -46.45 15.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 3' ' ' ILE . 2.5 mm -72.56 -19.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -92.78 -32.43 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.17 -10.45 59.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.625 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.325 -0.621 . . . . 0.0 109.325 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.52 ' HB3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -66.13 -20.37 66.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -71.73 -24.78 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -104.35 -21.16 13.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 3' ' ' ILE . 59.4 t -63.11 -41.42 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.24 -38.89 59.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLN . 6.4 mtmp? -60.29 -49.99 75.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.904 HD13 HD23 ' A' ' 46' ' ' LEU . 62.3 mt -49.07 -53.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.999 HG21 HG22 ' A' ' 65' ' ' VAL . 35.5 mm -71.29 -26.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.88 -25.21 72.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mm100 -104.75 -57.06 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' ILE . 27.1 mm-40 -42.01 -64.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.3 mt -63.84 -25.22 68.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.31 60.95 2.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 32.7 m -127.47 -173.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -83.88 179.43 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.89 -12.88 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -98.14 -25.32 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.22 6.95 30.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 8' ' ' LYS . 23.0 t -114.83 136.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -142.99 174.82 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.0 p30 -92.58 74.66 5.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 2.9 p30 162.21 -28.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.77 150.44 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -119.65 79.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 63' ' ' THR . 3.1 p90 -41.59 -35.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.81 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -37.61 -80.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -95.85 -41.94 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 27.5 t0 -40.33 -59.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.2 mp -101.84 -108.57 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.93 80.53 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -98.6 57.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.19 19.34 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -158.08 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.06 31.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.786 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -75.84 -81.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.418 HG22 ' OD1' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -88.99 18.63 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -108.97 -43.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.43 -42.39 17.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 46' ' ' LEU . 2.2 tt -47.74 -39.2 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.688 HG22 HG23 ' A' ' 54' ' ' ILE . 24.9 t -55.95 -67.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.7 mmt -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.34 -69.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.008 HD12 HD21 ' A' ' 42' ' ' LEU . 15.3 mt -49.23 -23.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -78.84 -52.73 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -34.81 72.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -50.41 -42.07 53.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.3 m-85 -147.73 -74.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.36 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.66 ' O ' HG23 ' A' ' 52' ' ' THR . 12.8 t -171.89 93.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 70.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.688 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -45.5 103.61 0.35 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 144.47 30.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.9 t70 -45.86 -40.52 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.35 -40.82 68.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.522 ' C ' HD11 ' A' ' 54' ' ' ILE . 2.3 mt-10 -96.65 -8.47 31.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -83.54 -8.96 59.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.38 -17.91 57.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.12 -11.67 30.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.659 HD13 HG12 ' A' ' 54' ' ' ILE . 3.1 pt -103.12 16.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.614 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -36.73 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.4 p -107.47 165.86 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 110.375 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.999 HG22 HG21 ' A' ' 11' ' ' ILE . 42.3 t -66.98 -50.45 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HA ' HD13 ' A' ' 69' ' ' ILE . 1.5 tt0 -47.8 -54.23 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.38 -19.09 13.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -79.66 1.39 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' VAL . 3.3 mp -109.51 -66.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -46.13 -25.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 69' ' ' ILE . 2.9 t80 -78.38 -40.24 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' ILE . 11.8 mm -70.24 -33.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -82.5 -28.29 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.1 10.87 61.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.609 179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.5 pt-20 -52.44 -36.56 54.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 6.5 pt-20 -66.81 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 36.2 mtp180 -84.69 -6.54 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG13 ' A' ' 69' ' ' ILE . 25.3 t -83.15 -34.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 mmtp -62.45 -38.43 89.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 5.8 pttt -66.81 -42.89 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.894 HG23 ' CB ' ' A' ' 45' ' ' ALA . 79.7 mt -59.45 -53.19 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.83 HG21 HG22 ' A' ' 65' ' ' VAL . 15.2 mm -72.11 -24.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -75.29 -25.45 68.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.02 -53.2 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 28.9 mm-40 -48.16 -64.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.827 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -65.78 -43.04 89.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.29 66.35 0.76 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -135.59 178.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.661 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -89.31 176.16 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -95.32 4.21 53.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -39.55 4.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.5 -20.99 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.7 t -81.51 111.87 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.433 ' C ' ' NZ ' ' A' ' 8' ' ' LYS . 13.6 p -119.93 176.29 5.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -63.8 -45.13 91.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.22 55.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 23' ' ' THR . . . -110.1 90.38 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.565 ' OG ' HG23 ' A' ' 29' ' ' VAL . 5.5 t -70.21 61.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.948 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.815 ' CE1' HG13 ' A' ' 29' ' ' VAL . 20.1 p90 -35.57 -41.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.815 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -43.43 -69.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -91.06 -52.34 4.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -40.7 -61.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.3 mp -97.37 -102.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.94 93.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -150.76 88.99 1.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.35 20.61 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 -80.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.19 29.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.814 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.2 p-10 -83.75 -50.52 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.5 t -95.9 -32.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' VAL . 55.3 t -66.19 -83.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' VAL . 6.0 mt-10 -37.86 -48.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 46' ' ' LEU . 5.0 tt -41.79 -47.91 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' THR . 22.6 t -46.93 -75.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 46.0 mtt -36.18 -53.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.894 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.04 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.006 HD12 HD21 ' A' ' 42' ' ' LEU . 17.9 mt -49.31 -23.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.1 mm-40 -79.23 -52.28 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -35.15 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -43.15 64.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -145.13 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.3 m-20 156.57 99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 52' ' ' THR . 8.7 t -172.93 94.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 5.3 pt-20 -63.66 75.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.668 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -57.16 109.38 1.69 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.46 34.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 21.9 t70 -56.45 -34.96 67.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -54.7 -35.23 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -10.17 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.668 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.29 12.58 29.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.9 tp10 -103.92 -19.24 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -94.73 6.62 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.9 pt -92.49 -56.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.556 ' HB ' HG21 ' A' ' 29' ' ' VAL . 11.3 p 46.54 22.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' C ' ' A' ' 63' ' ' THR . 28.0 p -157.79 176.18 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.83 HG22 HG21 ' A' ' 11' ' ' ILE . 42.2 t -86.5 -53.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HA ' HD12 ' A' ' 69' ' ' ILE . 18.1 tp60 -40.44 -54.18 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.722 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -47.21 -49.21 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -55.32 -30.58 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.942 HG13 HG11 ' A' ' 7' ' ' VAL . 7.8 mt -81.73 -56.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -20.05 8.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -84.92 -49.85 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 3' ' ' ILE . 17.0 mm -59.2 -23.92 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.47 -34.48 15.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.3 19.95 32.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 75.0 t60 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 109.603 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.306 -0.627 . . . . 0.0 109.306 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' ILE . 3.0 tt0 -68.93 -52.76 25.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.4 -28.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.6 mtp85 -92.8 -51.24 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 10' ' ' ILE . 5.7 t -43.16 -37.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.9 -43.83 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ARG . 19.6 mttt -57.18 -52.24 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 ' CB ' ' A' ' 45' ' ' ALA . 52.6 mt -46.27 -52.06 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 65' ' ' VAL . 10.9 mm -72.63 -27.61 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.0 -25.27 75.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.8 mm100 -105.04 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 41' ' ' GLU . 27.6 mm-40 -40.87 -64.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -63.32 -51.77 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 106.84 76.39 1.0 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.555 HG11 HD22 ' A' ' 32' ' ' LEU . 15.9 m -155.17 -179.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 175.33 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -96.16 -6.18 38.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.35 -43.62 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -25.43 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 p -87.1 113.47 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.2 p -129.44 -162.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -84.5 -48.14 9.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -98.39 55.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -133.02 91.35 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 78.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 63' ' ' THR . 4.3 p90 -38.57 -37.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.65 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.3 tm-20 -74.06 -53.98 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -39.81 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.555 HD22 HG11 ' A' ' 17' ' ' VAL . 1.9 mp -89.05 -107.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.28 85.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.628 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -108.55 61.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.73 24.07 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.6 t -174.21 113.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.49 24.23 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.714 ' HA ' HD22 ' A' ' 15' ' ' LEU . 15.9 p-10 -74.65 -50.78 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.051 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -102.48 -60.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 74.7 t -33.67 -57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -65.55 -58.5 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.132 HD21 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -40.8 -39.85 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 39' ' ' THR . 22.0 t -52.11 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -52.5 26.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.914 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.3 -65.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.132 HD12 HD21 ' A' ' 42' ' ' LEU . 13.1 mt -52.46 -21.52 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -81.01 -51.66 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -34.8 78.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -42.27 -44.19 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.71 -73.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 2.7 p-10 168.02 91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 52' ' ' THR . 8.1 t -175.54 105.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 8.3 pt-20 -74.76 110.45 9.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.998 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -58.39 112.19 4.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.467 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 144.26 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -44.78 -61.63 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.7 mm-40 -38.69 -29.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.967 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -96.73 -38.82 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -47.69 -30.02 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.05 -40.26 12.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -71.0 -8.69 55.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.9 pt -103.42 20.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 t -36.97 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.8 p -104.69 164.21 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.72 HG22 HG21 ' A' ' 11' ' ' ILE . 61.8 t -70.5 -48.52 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.958 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.3 tt0 -39.47 -54.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -49.78 -44.43 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -57.67 -23.31 50.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.958 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.1 mt -87.06 -42.72 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -17.17 62.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -83.04 -48.77 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.622 HG21 HD11 ' A' ' 3' ' ' ILE . 5.1 mm -65.04 -30.0 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.456 ' ND2' HG21 ' A' ' 3' ' ' ILE . 6.8 m-20 -80.38 -35.98 34.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.0 22.6 21.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.637 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 69' ' ' ILE . 11.5 pt-20 -62.84 -52.21 64.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.5 pt-20 -42.95 -32.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -86.92 -40.21 15.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.992 HG11 HG13 ' A' ' 69' ' ' ILE . 37.7 t -47.63 -46.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -52.74 -38.24 60.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.04 -52.99 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.84 HG23 ' CB ' ' A' ' 45' ' ' ALA . 36.7 mt -48.5 -55.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.774 HG21 HG22 ' A' ' 65' ' ' VAL . 11.2 mm -69.6 -26.09 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.71 -25.04 73.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.155 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.8 mm-40 -105.12 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 13.3 mm-40 -43.12 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -55.3 -57.51 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.41 60.06 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.18 -173.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -174.5 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.68 -53.08 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.59 -45.2 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -53.73 -50.08 66.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.14 138.42 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 21' ' ' GLU . 62.1 p -133.54 172.43 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -91.27 39.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.41 37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -125.79 129.08 48.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' PHE . 3.4 m -93.33 76.41 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.4 p90 -35.25 -40.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.598 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.08 -75.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -79.2 -59.19 2.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.43 -70.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.1 mt -84.34 -104.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.22 91.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -142.14 79.95 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.13 45.04 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.94 -74.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' OE1' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -92.63 30.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.629 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.6 t0 -67.58 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.066 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 m -76.39 -59.23 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' THR . 5.3 t -30.87 -60.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.57 ' OE1' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.31 -60.5 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -38.08 -42.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.066 HG23 ' O ' ' A' ' 39' ' ' THR . 26.3 t -49.66 -66.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -55.51 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.1 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 42' ' ' LEU . 16.5 mt -51.86 -21.85 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -81.47 -53.08 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -34.96 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -62.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -128.63 -66.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 2.1 m-20 157.48 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 72' ' ' ILE . 10.2 t -168.92 108.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 6.3 pt-20 -73.33 94.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.919 HG22 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -39.69 120.58 1.41 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 144.68 30.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 34.5 t0 -65.18 -56.76 11.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -100.45 -41.63 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 54' ' ' ILE . . . -57.28 -17.57 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -10.93 21.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -99.98 -14.89 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.7 pt -74.99 -56.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 64' ' ' THR . 14.9 p 48.56 18.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 63' ' ' THR . 20.3 p -159.16 -170.01 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.774 HG22 HG21 ' A' ' 11' ' ' ILE . 43.9 t -96.05 -54.49 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 14.6 tp60 -38.13 -53.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.819 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -49.06 -47.75 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -54.97 -22.55 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.992 HG13 HG11 ' A' ' 7' ' ' VAL . 14.8 mt -92.7 -53.9 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -23.33 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' HG12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -83.51 -47.38 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.591 ' CD1' HG21 ' A' ' 52' ' ' THR . 7.2 mm -68.67 -16.65 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.07 -30.12 18.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 -2.81 67.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.626 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.747 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.5 pt-20 -58.35 -33.57 69.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.93 -39.15 93.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -82.47 -29.99 30.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.791 HG11 HG13 ' A' ' 69' ' ' ILE . 11.9 t -55.83 -39.48 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' GLY . 17.9 mmtp -53.0 -37.13 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 tttt -64.25 -51.45 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.878 HG23 ' CB ' ' A' ' 45' ' ' ALA . 73.7 mt -48.67 -51.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 65' ' ' VAL . 33.6 mm -72.4 -30.28 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.74 -24.74 76.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.95 -58.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 26.9 mm-40 -42.32 -65.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.701 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.7 mt -65.76 -32.29 73.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 72.19 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.85 162.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.3 mptt -71.86 177.14 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 20' ' ' GLU . 8.6 pt20 -84.8 -43.32 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 18.1 mt-10 -62.82 -44.1 97.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -23.44 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 18' ' ' LYS . 3.2 t -83.9 117.62 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -128.29 148.06 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -82.26 75.92 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 176.77 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -49.11 141.13 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.807 ' HA ' HG22 ' A' ' 64' ' ' THR . 7.5 m -96.68 60.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.743 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.3 m-85 -41.89 164.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.4 t 83.49 -50.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -102.35 -60.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -42.56 -91.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.09 97.77 0.12 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.797 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -151.47 75.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -123.71 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -157.48 -70.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 33.98 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.646 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 t0 -79.63 -90.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.2 t -70.05 -53.52 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' OE1' ' A' ' 41' ' ' GLU . 50.2 t -36.28 -35.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.538 ' OE1' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -97.1 -60.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -40.47 -46.93 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.078 HG22 HG23 ' A' ' 54' ' ' ILE . 48.8 t -47.21 -65.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.2 mmt -47.29 -52.53 15.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.878 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.79 -70.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 42' ' ' LEU . 23.0 mt -49.2 -23.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -77.95 -51.02 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -41.35 80.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.6 -34.49 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 5.2 m-85 -143.52 -83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER 156.18 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.639 ' O ' HG23 ' A' ' 52' ' ' THR . 11.2 t -160.17 96.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.0 75.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.078 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.25 107.31 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.584 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 145.07 31.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 4.9 p-10 -45.35 -51.18 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.75 -38.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.96 -22.6 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -64.99 -20.68 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -77.93 -45.42 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -60.0 -15.62 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 67' ' ' ALA . 11.1 pt -109.98 31.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.497 HG23 HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -41.39 -28.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' SER . 62.5 p -91.78 -158.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 11' ' ' ILE . 79.7 t -108.76 -46.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 69' ' ' ILE . 5.0 tp-100 -46.87 -54.0 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -46.66 -49.46 19.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -45.91 -28.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 66' ' ' GLN . 6.5 mt -86.36 -58.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -49.14 -28.05 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 2.9 t80 -81.58 -36.62 28.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.01 -21.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -84.97 -27.99 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.16 -1.52 63.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.575 179.991 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 1.035 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.543 ' HB3' HG21 ' A' ' 69' ' ' ILE . 23.1 pt-20 -73.7 -52.19 14.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.454 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.1 pt-20 -49.08 -25.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -93.37 -37.32 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 3' ' ' ILE . 38.3 t -51.33 -40.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 32.5 mmtm -51.19 -44.27 61.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.0 mttm -60.0 -58.47 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 45' ' ' ALA . 3.3 mt -42.01 -55.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.874 HG13 HG13 ' A' ' 65' ' ' VAL . 16.8 mm -68.85 -29.93 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -70.09 -24.12 76.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' LYS . 6.8 mm-40 -105.91 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' ILE . 30.3 mm-40 -38.39 -68.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HD2' ' A' ' 28' ' ' PHE . 1.7 mt -54.69 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.06 69.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.96 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -178.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.74 3.83 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -39.62 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 23' ' ' THR . 29.1 mt-10 -66.54 -25.51 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 4.9 t -55.96 120.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 21' ' ' GLU . 82.0 p -106.31 -165.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -126.01 37.18 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -178.84 38.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.97 136.77 52.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -75.44 118.8 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 65' ' ' VAL . 3.4 m-85 -94.97 1.83 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.1 t -108.04 -40.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -88.48 -74.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -47.21 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -53.18 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.43 100.79 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.627 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -136.75 77.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.37 44.19 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -171.56 -70.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 30.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.4 t0 -71.59 -88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.933 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -80.4 -48.99 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 98.5 t -37.33 -32.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -99.91 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -39.66 -46.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 39' ' ' THR . 48.2 t -47.52 -73.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' VAL . 31.5 mtt -37.32 -54.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.909 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.15 -70.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 HD21 ' A' ' 42' ' ' LEU . 36.0 mt -48.28 -23.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.1 -53.27 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.93 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' A' ' 49' ' ' GLU . 6.8 tp10 -54.55 -37.35 65.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -145.96 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.4 m-20 159.34 93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' THR . 0.6 OUTLIER -169.76 94.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 77.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.893 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.93 109.72 1.61 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.58 30.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.4 p-10 -54.01 -47.58 71.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -22.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -19.82 12.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -99.05 11.96 37.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 57.8 tt0 -103.67 -24.27 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 -7.06 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 12.3 pt -77.05 -55.46 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.521 ' HA ' HG21 ' A' ' 29' ' ' VAL . 44.6 p 41.09 27.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' C ' ' A' ' 63' ' ' THR . 38.9 p -156.86 173.55 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.874 HG13 HG13 ' A' ' 11' ' ' ILE . 2.8 t -89.45 -41.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.8 tp-100 -54.75 -53.77 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -41.19 -59.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 46' ' ' LEU . . . -42.94 -40.29 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.966 HG13 HG11 ' A' ' 7' ' ' VAL . 9.6 mt -76.09 -60.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.05 -24.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.577 ' OH ' HG23 ' A' ' 52' ' ' THR . 2.8 t80 -84.39 -51.99 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HD11 ' A' ' 3' ' ' ILE . 3.7 mm -57.96 -33.07 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.71 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.09 3.69 85.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.597 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.762 HD13 ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.0 pt-20 -60.95 -12.81 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 8.5 pt-20 -101.33 -40.9 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.41 ' N ' ' HG3' ' A' ' 5' ' ' GLU . 0.1 OUTLIER -75.61 -30.8 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 46' ' ' LEU . 2.3 t -54.08 -48.81 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HZ2' ' HA ' ' A' ' 24' ' ' ASN . 18.4 mmtt -47.18 -44.1 21.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.3 mttm -63.09 -52.18 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 45' ' ' ALA . 54.8 mt -47.84 -50.99 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.737 HG21 HG22 ' A' ' 65' ' ' VAL . 2.5 mm -73.11 -29.07 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.89 -24.9 76.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.7 mm100 -105.36 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 90.1 mm-40 -40.74 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.793 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -60.99 -41.14 95.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 98.15 77.44 1.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 16' ' ' GLY . 30.2 m -156.64 -172.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 3.7 mppt? -89.91 175.14 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -94.74 -49.63 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -24.01 66.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -56.74 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.412 ' C ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -59.59 151.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 24' ' ' ASN . 10.4 p -148.3 -137.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.481 ' HA ' ' HZ2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -111.09 -53.43 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -72.37 -11.73 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.94 120.95 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.6 m -99.16 82.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.647 ' CB ' HD12 ' A' ' 15' ' ' LEU . 11.8 p90 -39.74 -36.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.602 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.78 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -100.54 -40.61 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' SER . 16.0 t70 -39.91 -42.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -117.08 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 157.12 99.73 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 38' ' ' ASP . . . -166.76 92.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.72 21.93 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -71.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 23.49 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.793 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.3 p-10 -75.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.4 -56.84 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -41.25 -83.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.532 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.5 mt-10 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.804 HD21 ' CD1' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -39.12 -40.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 39' ' ' THR . 26.9 t -54.06 -72.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' VAL . 22.5 mtt -35.6 -52.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.901 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.84 -72.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 7' ' ' VAL . 11.7 mt -46.94 -24.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -75.49 -53.54 8.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.79 78.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HD11 ' A' ' 10' ' ' ILE . 10.2 tp10 -44.07 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -125.36 -62.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.8 m-20 155.41 97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 HD12 ' A' ' 72' ' ' ILE . 12.0 t -175.25 100.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -67.24 62.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.853 HD13 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -43.26 104.72 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.588 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 147.16 33.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.691 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -54.69 -46.24 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.94 -28.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -112.91 -21.67 11.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -87.24 -0.68 57.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -104.69 -33.03 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.65 -2.95 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.852 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 9.8 pt -81.25 -56.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 62' ' ' ILE . 1.2 p 62.74 7.98 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' THR . 17.6 p -158.8 179.04 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -84.98 -40.1 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -49.72 -53.78 22.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.852 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -58.86 -16.34 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -88.58 -27.04 21.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 7' ' ' VAL . 82.2 mt -87.91 -61.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -22.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 54' ' ' ILE . 1.5 t80 -79.39 -46.77 16.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 52' ' ' THR . 25.9 mm -74.31 -12.66 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -98.34 -32.49 11.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.0 2.96 87.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.577 179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.537 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.673 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.3 pp20? -50.55 -35.34 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.13 -21.99 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 60.2 mtp85 -95.46 -27.91 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 69' ' ' ILE . 55.8 t -60.43 -38.72 78.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -55.06 -38.13 67.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 mtmt -63.96 -57.8 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.871 HG23 ' CB ' ' A' ' 45' ' ' ALA . 43.6 mt -45.61 -51.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 65' ' ' VAL . 26.5 mm -71.87 -26.7 25.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.73 -25.2 74.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.38 -53.99 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 24.4 mm-40 -48.44 -64.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 11' ' ' ILE . 6.5 mt -54.43 -59.52 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.08 53.12 0.36 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.7 t -129.74 -173.68 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.724 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.3 mptt -101.36 179.8 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.01 60.37 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -159.3 -46.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -86.06 10.45 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 22' ' ' VAL . 2.7 t -109.81 96.5 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.838 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.8 p -108.71 -168.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -86.52 -43.94 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -93.13 34.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.4 84.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 28' ' ' PHE . 1.5 m -69.16 69.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.793 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 21.2 p90 -36.27 -34.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 17.3 t -36.35 -74.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -98.41 -40.45 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -44.16 -64.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -94.53 -84.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 162.17 99.34 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.793 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -155.26 88.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.79 15.06 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.605 ' HB3' HD23 ' A' ' 37' ' ' LEU . 5.0 m -117.8 -69.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -101.15 27.41 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.92 -90.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 p -58.63 -57.48 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 70.4 t -38.99 -87.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.479 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -38.39 -53.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.093 ' CD2' HD12 ' A' ' 46' ' ' LEU . 1.9 tt -42.23 -52.5 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 54' ' ' ILE . 39.0 t -44.47 -69.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -49.04 11.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -58.75 -69.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.093 HD12 ' CD2' ' A' ' 42' ' ' LEU . 49.9 mt -51.18 -22.16 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -79.48 -50.0 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -34.75 72.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 1.2 tp10 -61.52 -28.41 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 1.1 m-85 -152.69 -80.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 156.07 94.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.615 ' O ' HG23 ' A' ' 52' ' ' THR . 9.4 t -163.94 94.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.48 71.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.6 105.33 0.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 144.73 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.75 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 22.9 t0 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.3 -41.97 63.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.557 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -97.52 -10.13 25.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -75.81 -25.11 56.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -76.66 -20.93 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 3.34 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.1 pt -124.49 26.85 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 60' ' ' GLU . 58.7 p -35.58 -44.63 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 62' ' ' ILE . 21.4 p -90.49 167.97 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 11' ' ' ILE . 50.5 t -71.65 -54.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.935 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -37.19 -54.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.505 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -47.84 -49.64 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -47.2 -26.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.935 HD12 ' HA ' ' A' ' 66' ' ' GLN . 7.1 mt -85.87 -60.82 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -21.52 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' ALA . 3.9 t80 -81.16 -42.89 20.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 52' ' ' THR . 5.5 mm -70.56 -25.86 27.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -87.48 -31.22 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.54 13.46 55.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t60 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.57 179.987 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.997 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 3.3 pt-20 -68.1 -36.56 79.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -74.51 -21.85 59.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -93.01 -33.66 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 3' ' ' ILE . 25.3 t -46.92 -45.43 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -46.92 -41.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.6 tttt -64.58 -53.16 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.822 HG23 ' CB ' ' A' ' 45' ' ' ALA . 45.9 mt -47.5 -50.51 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.816 HG13 HG13 ' A' ' 65' ' ' VAL . 2.9 mm -72.86 -31.9 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.649 ' HA2' HG21 ' A' ' 22' ' ' VAL . . . -68.64 -25.19 75.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.5 mm-40 -103.67 -59.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 13.3 mm100 -41.79 -64.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.784 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -64.59 -28.49 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.29 72.71 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -137.69 171.08 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -76.94 175.04 9.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.9 51.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.3 -50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 23' ' ' THR . 3.7 mm-40 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.649 HG21 ' HA2' ' A' ' 12' ' ' GLY . 30.3 t -68.35 80.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 21' ' ' GLU . 34.9 p -93.26 -159.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -92.97 -45.02 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -97.68 49.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -109.54 121.8 46.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -99.74 75.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 1.2 p90 -37.8 -38.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -40.08 -79.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.639 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -78.62 -56.79 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.07 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -94.09 -112.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -172.09 87.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . . . -83.43 50.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.99 43.34 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER 178.37 118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 43.04 28.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.685 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.07 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.99 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.21 -48.96 14.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.6 -71.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -52.14 -54.28 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.948 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -38.99 -45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 39' ' ' THR . 20.5 t -47.45 -64.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.3 mmt -45.33 -55.44 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.822 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.12 -67.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.948 HD12 ' CD2' ' A' ' 42' ' ' LEU . 35.3 mt -50.02 -23.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.06 -52.92 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -35.61 74.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -52.51 -20.53 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -169.63 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.89 94.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 52' ' ' THR . 13.3 t -167.82 88.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -63.3 76.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -57.63 109.68 1.95 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 144.71 30.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 p-10 -53.86 -45.87 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.45 -33.61 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.17 -18.17 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -82.86 -57.41 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -39.28 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.76 40.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 59' ' ' ALA . 7.2 pt -125.79 -55.82 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 64' ' ' THR . 11.4 p 49.72 18.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 63' ' ' THR . 12.0 p -159.84 174.82 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.816 HG13 HG13 ' A' ' 11' ' ' ILE . 23.3 t -87.11 -46.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.7 tt0 -47.01 -52.91 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -43.07 -29.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -78.45 -44.33 24.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.903 HG13 HG11 ' A' ' 7' ' ' VAL . 87.7 mt -68.15 -51.7 45.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.33 -20.6 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -81.94 -48.3 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 3' ' ' ILE . 16.0 mm -62.34 -23.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -88.57 -32.08 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.42 16.01 51.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.568 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.669 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 18.8 pt-20 -54.99 -49.45 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.3 pt-20 -49.28 -36.4 20.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -85.0 -29.26 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.749 HG11 HG13 ' A' ' 69' ' ' ILE . 36.4 t -58.18 -38.45 68.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -52.39 -37.93 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLN . 17.5 mttt -61.43 -51.58 68.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.882 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -48.1 -52.18 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG13 ' A' ' 65' ' ' VAL . 41.6 mm -71.81 -28.72 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -71.46 -25.37 75.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.7 mm-40 -104.08 -56.9 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 38.5 mm-40 -42.9 -64.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 28' ' ' PHE . 6.8 mt -57.4 -74.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.94 49.54 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.84 -173.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.43 175.59 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 2.6 tm0? -101.05 -35.38 9.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.36 -33.81 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 1.3 mt-10 -76.46 -45.85 29.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.39 130.79 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 21' ' ' GLU . 72.4 p -137.86 164.93 27.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 10.6 p-10 -78.75 73.06 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 175.73 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.31 164.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -125.97 76.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . 4.4 p90 -38.52 -36.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.735 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.86 -87.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -95.48 -39.56 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 27' ' ' SER . 4.7 t70 -39.25 -58.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.63 -76.87 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 158.94 100.19 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.44 85.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.764 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.08 26.85 7.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -138.81 -80.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.601 HD22 ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.19 32.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.474 ' HA ' HD22 ' A' ' 15' ' ' LEU . 13.6 t0 -70.61 -69.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.07 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -87.93 -61.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.8 t -29.16 -52.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.601 ' OE2' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.92 -61.81 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.007 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.85 -40.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.07 HG23 ' O ' ' A' ' 39' ' ' THR . 21.6 t -49.01 -65.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.4 mtp -46.04 -52.71 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.882 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.6 -63.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.007 HD12 ' CD2' ' A' ' 42' ' ' LEU . 21.3 mt -54.37 -20.3 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mm-40 -83.0 -51.54 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.52 78.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -41.48 -61.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -130.86 -68.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 1.5 m-20 161.66 90.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.412 HG23 ' OH ' ' A' ' 71' ' ' TYR . 2.2 t -177.71 115.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -80.01 105.85 11.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.995 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -51.8 112.45 3.21 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.417 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.94 144.58 30.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLU . 27.9 t0 -46.55 -61.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -40.17 -28.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -94.56 -48.83 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB1' ' OG1' ' A' ' 39' ' ' THR . . . -40.51 -38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.93 -39.75 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLU . 2.0 mttm -69.19 -8.74 48.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.479 HG22 ' HB1' ' A' ' 67' ' ' ALA . 24.0 pt -111.33 28.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.735 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.44 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.3 p -108.15 168.01 9.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HG13 ' A' ' 11' ' ' ILE . 47.4 t -72.21 -45.45 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . 9.9 tp60 -35.87 -54.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -55.92 -52.54 63.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -38.77 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.749 HG13 HG11 ' A' ' 7' ' ' VAL . 2.8 mp -83.71 -52.91 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' ALA . 30.1 t70 -55.81 -18.94 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CE2' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -87.19 -53.14 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 46' ' ' LEU . 3.9 mm -58.42 -39.15 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.79 -30.68 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.66 60.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 . . . . . 0 C--N 1.324 -0.529 0 O-C-N 124.542 0.789 . . . . 0.0 109.622 179.987 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.9 pt-20 -67.27 -19.5 65.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -67.77 -25.59 65.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.455 HH21 ' HG3' ' A' ' 49' ' ' GLU . 8.2 mtp85 -102.34 -29.35 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 69' ' ' ILE . 77.4 t -55.25 -46.6 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.521 ' CG ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.51 -43.67 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -55.7 24.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 HD23 ' A' ' 46' ' ' LEU . 47.4 mt -44.56 -51.49 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.798 HG13 HG13 ' A' ' 65' ' ' VAL . 16.3 mm -72.27 -30.6 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -67.98 -20.26 72.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -112.51 -60.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.459 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.9 mm-40 -37.84 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.4 mt -57.47 -46.28 83.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.509 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 103.64 90.38 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 28' ' ' PHE . 29.5 m -156.46 -169.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -178.61 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.54 34.27 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.24 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.12 -7.67 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.754 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 2.9 t -73.18 79.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.784 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.0 p -83.88 -139.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -121.22 -63.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -67.08 -11.23 56.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -53.31 106.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 2.2 m -83.35 80.2 9.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.818 ' CD2' HD12 ' A' ' 15' ' ' LEU . 7.2 m-85 -39.54 -42.4 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.939 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -39.98 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.652 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.9 tm-20 -75.17 -51.67 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' SER . 7.0 t70 -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.3 mt -99.59 -102.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 176.48 92.18 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -86.08 50.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.57 36.61 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -175.64 117.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER 39.19 42.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.998 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.3 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.978 ' O ' HG23 ' A' ' 43' ' ' VAL . 70.5 p -67.7 -52.61 35.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 60.9 t -38.26 -79.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.75 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 46' ' ' LEU . 1.2 tt -43.17 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 39' ' ' THR . 12.7 t -54.23 -62.52 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 25.2 mmt -47.99 -54.75 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.872 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.57 -65.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.888 HD23 HD13 ' A' ' 10' ' ' ILE . 12.0 mt -53.92 -20.61 6.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -80.61 -50.53 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -34.33 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.775 ' OE1' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.62 -75.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -85.05 -51.62 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.1 t70 84.29 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -135.58 9.86 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CG ' ' C ' ' A' ' 52' ' ' THR . 1.5 pt-20 39.18 75.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.859 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -64.46 111.89 6.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 144.59 30.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.3 t70 -54.18 -34.27 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.42 -32.08 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -109.47 -6.05 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.39 4.4 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ASP . 24.6 tt0 -102.05 -35.45 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.81 1.86 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.5 pt -78.6 -55.62 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.939 ' HB ' HG21 ' A' ' 29' ' ' VAL . 8.3 p 46.99 22.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.7 p -158.04 172.64 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG13 ' A' ' 11' ' ' ILE . 21.6 t -89.51 -35.78 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.524 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.7 tp60 -58.14 -53.31 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -39.92 -54.86 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -46.11 -44.6 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.964 HG13 HG11 ' A' ' 7' ' ' VAL . 5.4 mt -69.22 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.82 -26.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.0 t80 -83.44 -47.7 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.651 HG21 HD11 ' A' ' 3' ' ' ILE . 17.6 mm -58.09 -23.35 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -88.72 -51.39 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.53 -26.03 4.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.966 ' HB2' HD13 ' A' ' 69' ' ' ILE . 10.1 pt-20 -77.48 -46.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.3 pt-20 -62.74 -21.57 65.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 48.9 mtp180 -99.51 -20.45 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.282 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 3' ' ' ILE . 1.8 t -62.32 -40.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -53.94 -32.36 53.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -60.35 -55.32 35.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 46' ' ' LEU . 11.9 mt -44.94 -53.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.836 HD11 HD12 ' A' ' 42' ' ' LEU . 20.8 mm -71.03 -25.8 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.67 -25.24 72.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.6 mm-40 -105.33 -57.71 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.491 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 13.2 mm100 -42.47 -64.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD13 ' CB ' ' A' ' 34' ' ' ALA . 2.1 mt -55.76 -65.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.94 60.72 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.401 HG11 HD22 ' A' ' 32' ' ' LEU . 2.0 t -137.27 167.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 175.0 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 14.26 20.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.34 -35.99 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -79.37 -15.91 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG21 ' HA2' ' A' ' 12' ' ' GLY . 14.4 t -92.09 130.88 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 p -149.3 174.5 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.8 p-10 -89.08 75.33 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.4 p-10 162.55 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 148.25 43.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -116.26 80.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HA ' HD12 ' A' ' 32' ' ' LEU . 6.9 p90 -40.31 -35.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.83 -82.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 29' ' ' VAL . 12.2 tm-20 -93.62 -42.01 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 31.1 t0 -40.26 -61.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.6 mt -98.73 -84.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 164.4 98.81 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.664 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -156.61 89.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -123.22 31.67 5.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 t -144.4 -72.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 29.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.2 t0 -72.43 -83.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.032 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -76.81 -54.64 6.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' THR . 27.4 t -36.78 -67.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.439 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -56.75 -55.95 27.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.929 HD21 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -39.47 -46.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 39' ' ' THR . 21.5 t -47.69 -61.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 6.9 mtt -46.35 -55.94 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.87 -65.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 10' ' ' ILE . 36.4 mt -54.05 -20.12 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -81.83 -50.17 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -34.39 64.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -72.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 72' ' ' ILE . 3.8 m-30 -94.31 -48.18 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t70 85.18 82.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.715 HG23 ' OH ' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -141.15 13.23 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.3 pt-20 35.3 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -79.05 113.63 37.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.855 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.95 145.52 31.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLU . 6.0 p-10 -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -26.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -22.54 12.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.739 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -95.18 12.04 30.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -100.8 -21.54 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -16.74 35.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.729 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.3 pt -76.97 -56.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.719 ' OG1' HG21 ' A' ' 29' ' ' VAL . 1.6 t 43.79 24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' THR . 31.7 p -157.82 177.65 11.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.808 HG22 HG21 ' A' ' 11' ' ' ILE . 11.7 t -87.06 -51.4 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.5 tt0 -45.49 -53.2 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -52.61 -35.06 53.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -64.47 -11.97 39.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.966 HD13 ' HB2' ' A' ' 4' ' ' GLU . 30.4 mt -97.05 -47.55 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.28 -21.81 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.715 ' OH ' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -83.46 -50.43 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 3' ' ' ILE . 2.2 mm -60.07 -27.12 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.78 -36.15 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.62 -16.16 28.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.9 m80 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.631 179.971 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' ' 69' ' ' ILE . 1.2 tm-20 -54.69 -57.48 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -43.41 -30.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -90.83 -33.84 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 3' ' ' ILE . 53.9 t -56.16 -41.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.2 mmtp -53.66 -33.44 55.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -62.14 -49.9 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.553 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.3 mt -53.64 -61.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.591 HG21 HG22 ' A' ' 65' ' ' VAL . 23.6 mm -63.12 -23.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -81.64 -17.55 70.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.0 mm100 -112.78 -64.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 6.7 mm-40 -36.96 -64.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 34' ' ' ALA . 1.6 mt -55.49 -70.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.47 62.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -143.59 -175.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 1.3 mppt? -86.74 179.19 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -104.6 43.21 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -142.81 -50.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 23' ' ' THR . 6.8 mm-40 -59.35 -38.33 80.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 65' ' ' VAL . 89.9 t -65.59 118.55 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.677 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 43.3 p -123.77 176.04 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -72.81 -38.61 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -100.02 51.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -140.68 107.69 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -80.2 74.15 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 15' ' ' LEU . 20.8 p90 -33.06 -38.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.8 t -39.43 -63.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' ASP . 2.6 tm-20 -104.81 -51.12 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -37.04 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -80.88 -107.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.95 83.62 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 15' ' ' LEU . . . -141.42 82.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.95 40.85 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.36 33.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.602 ' CB ' ' HB1' ' A' ' 34' ' ' ALA . 7.3 p-10 -78.24 -50.93 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.027 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -101.83 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.45 HG12 ' OE1' ' A' ' 41' ' ' GLU . 13.2 t -36.75 -59.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -62.78 -58.43 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.023 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.8 -43.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 39' ' ' THR . 33.3 t -50.54 -66.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtt -43.56 -53.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.553 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.95 -71.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.023 HD12 ' CD2' ' A' ' 42' ' ' LEU . 45.3 mt -47.42 -24.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -76.14 -52.4 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -35.84 81.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -28.9 56.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -156.22 -82.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.58 92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 52' ' ' THR . 15.2 t -164.68 90.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.19 73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.905 HG23 HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -50.33 106.5 0.65 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.03 161.62 38.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.581 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -56.82 -53.08 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.2 pt-20 -44.29 -35.19 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -95.86 -22.25 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.14 -10.69 52.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -85.98 -36.03 20.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 5.5 pt -101.44 21.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -33.69 -36.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.44 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.6 p -108.1 166.27 10.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -69.61 -45.62 77.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -38.32 -54.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -53.22 -51.52 61.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -40.11 -29.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 4' ' ' GLU . 29.1 mt -83.7 -67.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -25.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 4.9 t80 -77.17 -44.72 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.654 HG21 HD11 ' A' ' 3' ' ' ILE . 5.3 mm -67.79 -26.51 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 7.9 m-80 -80.49 -36.99 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.87 -19.8 23.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.579 179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 25.2 pt-20 -54.73 -48.65 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -50.57 -38.2 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -82.1 -31.41 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.912 HG11 HG13 ' A' ' 69' ' ' ILE . 17.8 t -56.67 -36.55 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -54.85 -32.42 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -51.88 52.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 45' ' ' ALA . 78.9 mt -49.9 -54.33 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.986 HG13 HG13 ' A' ' 65' ' ' VAL . 11.5 mm -70.46 -30.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -64.67 -25.25 70.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -60.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 20.0 mm-40 -40.53 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.858 ' HG ' HG23 ' A' ' 11' ' ' ILE . 5.3 mt -45.82 -54.44 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' HG13 ' A' ' 17' ' ' VAL . . . 111.12 79.97 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 28' ' ' PHE . 29.2 m -151.22 -168.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -177.63 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -120.08 63.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.62 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.9 -8.84 52.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 8' ' ' LYS . 3.2 t -73.48 135.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.969 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 65.8 p -128.59 -174.23 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -91.45 -49.4 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -90.93 48.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.969 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.22 101.36 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.72 ' HA ' HG22 ' A' ' 64' ' ' THR . 71.9 m -75.3 70.6 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.674 ' CD2' HD12 ' A' ' 15' ' ' LEU . 5.4 m-85 -33.48 -49.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -35.66 -65.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -88.86 -60.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 1.5 m-20 -38.36 -59.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -105.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.19 95.68 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -81.82 51.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.64 44.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER 174.61 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER 38.12 43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.67 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 4.0 t0 -73.39 -88.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.055 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 t -71.45 -53.98 12.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.514 ' N ' HG23 ' A' ' 39' ' ' THR . 57.5 t -33.74 -65.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 1.1 mp0 -60.59 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.011 ' CD2' HD12 ' A' ' 46' ' ' LEU . 4.7 tt -38.44 -47.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.055 HG23 ' O ' ' A' ' 39' ' ' THR . 38.2 t -47.44 -74.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 26.7 mmt -35.98 -57.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.877 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.06 -73.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 42' ' ' LEU . 23.3 mt -44.98 -26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -73.72 -55.61 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -32.33 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -135.01 34.97 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.7 t0 51.92 86.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.676 HG22 ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -155.72 94.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -62.2 147.83 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.806 HG23 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -132.85 96.08 18.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.1 Cg_endo -74.98 145.77 31.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.883 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.7 p-10 -38.64 -53.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.1 tp10 -37.98 -42.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.507 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.77 -22.54 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.18 -26.45 66.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 63' ' ' THR . 2.6 tm-20 -70.99 -6.58 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -7.05 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 2.8 pt -108.57 15.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.614 ' HB ' HG21 ' A' ' 29' ' ' VAL . 61.6 p -35.65 -34.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.1 p -96.39 154.62 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.986 HG13 HG13 ' A' ' 11' ' ' ILE . 11.8 t -67.31 -38.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.3 tt0 -53.56 -54.07 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -47.4 -42.55 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -59.4 -34.39 72.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.912 HG13 HG11 ' A' ' 7' ' ' VAL . 1.7 mt -72.45 -57.69 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -15.25 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 15.8 t80 -82.06 -47.23 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 3' ' ' ILE . 5.4 mm -67.81 -22.06 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -90.52 -31.09 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.26 13.5 54.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.619 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.504 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 20.3 pt-20 -53.44 -47.39 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -53.53 -35.09 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.7 -23.78 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.86 HG11 HG13 ' A' ' 69' ' ' ILE . 41.1 t -64.05 -37.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' CG1' ' A' ' 22' ' ' VAL . 19.1 mmtp -58.16 -28.35 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -72.5 -56.59 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.889 HG23 ' CB ' ' A' ' 45' ' ' ALA . 74.7 mt -49.42 -68.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.586 HG13 HG13 ' A' ' 65' ' ' VAL . 13.8 mm -44.81 -29.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.84 -90.23 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -37.54 -40.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 10.0 mm100 -66.3 -86.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.5 mt -50.17 -60.88 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 114.89 83.05 1.09 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.69 HG21 ' CE2' ' A' ' 28' ' ' PHE . 1.8 t -141.09 166.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -84.51 175.05 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -5.38 59.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -114.82 4.11 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.4 mt-10 -121.35 8.18 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 24.7 t -111.91 97.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.821 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.1 p -111.34 -166.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -99.39 -32.47 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -108.52 49.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.821 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -115.43 104.23 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' PHE . 4.5 m -71.25 68.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 65' ' ' VAL . 2.9 m-85 -34.64 -45.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.809 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -40.4 -71.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.572 ' H ' HG23 ' A' ' 29' ' ' VAL . 10.7 tm-20 -78.86 -63.04 1.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -38.5 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.5 mt -94.98 -111.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.84 83.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.916 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -86.73 50.47 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.06 33.16 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.02 117.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.53 26.9 14.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.916 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 t0 -71.95 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.0 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 m -67.79 -56.25 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' THR . 66.3 t -38.22 -85.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' VAL . 2.0 mt-10 -38.08 -53.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -46.51 -53.55 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 39' ' ' THR . 21.9 t -41.6 -74.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 mmt -43.15 -52.35 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.889 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -54.96 -72.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 42' ' ' LEU . 19.1 mt -47.5 -24.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.84 -51.3 11.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -42.32 76.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -42.58 -54.32 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -131.36 -74.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 155.8 98.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -177.83 100.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 130.82 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.894 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -111.8 108.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.492 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 144.68 30.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.9 p-10 -51.36 -46.88 62.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.83 -21.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -17.41 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.894 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . . . -102.19 12.0 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.3 tt0 -102.79 -38.44 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -73.93 -4.66 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.717 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.8 pt -71.66 -57.38 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 29' ' ' VAL . 12.2 p 46.85 21.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 63' ' ' THR . 67.5 p -155.43 -176.62 6.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' PHE . 88.6 t -98.58 -37.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -54.21 -52.9 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -38.67 -59.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -44.72 -44.33 9.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -67.86 -67.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -26.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 9.2 t80 -78.03 -42.57 32.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.707 HG21 ' CD1' ' A' ' 3' ' ' ILE . 20.1 mm -72.15 -26.06 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -88.83 -30.7 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.95 8.43 70.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.599 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.8 pt-20 -90.16 -50.98 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -47.85 -30.62 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 9' ' ' LYS . 25.4 mtp85 -87.52 -39.37 15.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -41.53 -57.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -40.75 -40.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -67.62 -48.25 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 45' ' ' ALA . 50.0 mt -51.57 -39.47 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.999 HG13 HG13 ' A' ' 65' ' ' VAL . 20.4 mm -85.06 -23.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -98.66 17.14 58.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.6 mm100 -135.65 -49.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -70.01 -66.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.3 mt -42.52 -55.94 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 118.47 77.62 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 16' ' ' GLY . 18.8 m -158.33 -176.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 176.23 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -107.96 50.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.03 -46.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG12 ' HG3' ' A' ' 8' ' ' LYS . 61.5 t -88.14 106.03 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -110.18 -170.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.54 26.14 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.51 30.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -105.51 102.76 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ASP . 15.9 m -64.47 76.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.683 ' CD1' HD12 ' A' ' 15' ' ' LEU . 1.3 t80 -35.83 -41.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -39.83 -77.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.757 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -91.07 -46.14 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 34.7 t70 -39.07 -64.42 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.402 HD22 HG11 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -97.36 -96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.147 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -106.05 57.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.77 24.27 13.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -176.16 115.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 68.54 20.21 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.691 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 5.3 t0 -64.08 -85.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.026 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.0 p -76.5 -59.92 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.3 t -32.48 -69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -57.06 -56.41 22.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.089 HD11 HD12 ' A' ' 46' ' ' LEU . 1.2 tm? -39.5 -46.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 39' ' ' THR . 15.3 t -42.46 -60.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mmt -52.56 -50.32 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -56.31 -71.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.089 HD12 HD11 ' A' ' 42' ' ' LEU . 9.9 mt -47.99 -24.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -77.57 -54.34 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -33.92 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.7 -89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -92.58 -34.11 14.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.9 t70 86.51 80.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.937 HG21 HD13 ' A' ' 72' ' ' ILE . 4.3 t -131.68 12.88 4.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER 34.67 80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.962 HG22 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -46.86 111.14 1.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 144.37 30.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t70 -58.41 -53.28 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.0 pt-20 -38.32 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.939 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.05 -39.26 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -58.15 -26.72 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -2.8 42.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -10.9 13.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 58' ' ' GLU . 22.3 pt -84.07 -52.79 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.518 ' C ' HG23 ' A' ' 64' ' ' THR . 4.7 p 40.88 26.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 63' ' ' THR . 40.7 p -156.84 166.77 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.999 HG13 HG13 ' A' ' 11' ' ' ILE . 39.4 t -85.95 -25.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.0 tp-100 -70.79 -51.82 24.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -50.76 -33.92 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -70.15 -24.66 63.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.833 ' CG1' HG11 ' A' ' 7' ' ' VAL . 89.5 mt -86.28 -50.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.76 -21.46 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.16 -42.83 22.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.937 HD13 HG21 ' A' ' 52' ' ' THR . 1.5 mm -71.01 -24.82 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.99 -35.8 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.43 19.72 38.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.8 t60 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.579 -179.979 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.983 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -76.18 -52.69 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -50.54 -24.04 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -97.23 -33.12 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -46.6 -43.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.17 -45.36 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLN . 64.0 mttt -59.52 -53.55 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.939 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.8 mt -46.66 -50.67 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.892 HG13 HG13 ' A' ' 65' ' ' VAL . 11.8 mm -73.12 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -74.45 -23.59 75.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -105.9 -51.12 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 37' ' ' LEU . 32.0 mm-40 -51.7 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.681 ' HG ' HG23 ' A' ' 11' ' ' ILE . 3.5 mt -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.73 4.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.85 -167.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -175.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -123.94 -42.84 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.71 -30.13 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.24 -27.42 32.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -73.03 115.7 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.5 p -87.29 178.07 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLN . 5.8 p30 -91.16 -43.16 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.62 -12.59 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 32' ' ' LEU . . . -49.76 123.95 8.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 m -99.83 58.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.726 ' C ' HG23 ' A' ' 29' ' ' VAL . 2.3 p90 -38.63 159.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.726 HG23 ' C ' ' A' ' 28' ' ' PHE . 2.8 t 85.31 -47.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.371 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -104.69 -24.71 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -108.68 -87.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -45.74 -94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.78 99.39 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.09 86.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.04 38.49 3.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 37' ' ' LEU . 8.5 t -152.52 -57.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -118.51 44.86 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CG ' ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -78.89 -48.98 13.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.039 ' O ' HG23 ' A' ' 43' ' ' VAL . 6.7 t -113.06 -55.62 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.539 ' N ' HG23 ' A' ' 39' ' ' THR . 44.1 t -39.62 -33.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -91.31 -58.89 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.972 HD21 ' CD1' ' A' ' 46' ' ' LEU . 1.4 tt -40.3 -42.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.039 HG23 ' O ' ' A' ' 39' ' ' THR . 38.9 t -50.44 -64.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 22.0 mmt -44.98 -55.61 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.939 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.76 -69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.972 ' CD1' HD21 ' A' ' 42' ' ' LEU . 18.4 mt -48.81 -24.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.97 -54.97 5.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -33.26 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' A' ' 50' ' ' PHE . 15.2 tp10 -54.39 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 3.6 m-30 -112.09 41.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 29.5 m-20 37.19 60.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -123.41 98.46 5.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 19.8 pt-20 -66.51 145.99 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -129.67 94.31 32.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.5 Cg_endo -75.0 145.01 30.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 p-10 -38.25 -54.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.0 pt-20 -37.52 -41.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -99.01 -23.89 15.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.884 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -65.06 -32.47 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -93.32 1.21 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.595 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -115.11 18.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 60' ' ' GLU . 82.0 p -33.91 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.3 p -105.24 161.98 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.892 HG13 HG13 ' A' ' 11' ' ' ILE . 49.3 t -68.76 -51.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ASN . 12.9 tp60 -42.16 -54.67 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' TYR . . . -44.05 -48.65 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -39.63 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.69 ' CG1' HG11 ' A' ' 7' ' ' VAL . 74.8 mt -82.04 -49.4 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.1 t0 -62.53 -13.99 36.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.2 t80 -88.52 -54.64 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.957 HG21 HD11 ' A' ' 3' ' ' ILE . 4.5 mm -64.72 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -84.84 -33.26 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.21 14.42 60.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t60 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.605 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.695 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.6 pp20? -72.27 -24.92 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -79.59 -26.79 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 8.4 mtp85 -93.42 -42.15 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.879 HG11 ' CG1' ' A' ' 69' ' ' ILE . 4.9 t -43.42 -49.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -42.5 -37.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.4 ttpt -67.67 -52.96 31.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.936 HG23 ' CB ' ' A' ' 45' ' ' ALA . 41.6 mt -48.88 -23.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 1.043 HG21 HG22 ' A' ' 65' ' ' VAL . 8.1 mm -100.33 -27.67 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.555 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -96.86 16.35 61.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' LYS . 19.0 mm-40 -135.37 -45.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.44 -65.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.3 mt -48.22 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 128.93 77.6 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.914 ' CG1' HD22 ' A' ' 32' ' ' LEU . 16.4 m -157.54 160.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.68 177.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.15 -39.95 14.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -42.34 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -40.42 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.42 130.13 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -136.21 -141.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -104.01 -45.54 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 17.8 p-10 -100.24 45.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.5 110.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.42 ' OG ' HG22 ' A' ' 64' ' ' THR . 3.3 m -85.87 80.74 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.813 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.8 p90 -37.69 -37.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.7 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.599 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.4 tm-20 -69.08 -60.43 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.8 m-20 -38.25 -63.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.914 HD22 ' CG1' ' A' ' 17' ' ' VAL . 1.8 mt -96.51 -112.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -177.25 90.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -107.63 64.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.7 20.71 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 109.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.32 29.23 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 9.7 t0 -78.39 -95.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -60.24 -41.44 93.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 41' ' ' GLU . 55.8 t -52.91 -90.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.509 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -38.47 -46.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.904 ' C ' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -37.06 -37.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 54' ' ' ILE . 61.8 t -63.01 -68.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mmt -34.87 -54.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.936 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.0 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD13 ' A' ' 10' ' ' ILE . 24.1 mt -44.3 -26.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.38 -52.88 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -34.66 78.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 10' ' ' ILE . 18.6 tp10 -46.94 -59.8 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -131.03 -66.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.7 m-20 156.76 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 52' ' ' THR . 12.4 t -175.29 99.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.67 66.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -49.35 105.76 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.604 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.4 p30 -58.66 -47.38 84.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -45.35 -32.62 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.13 -21.79 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -98.62 18.08 17.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tt0 -104.11 -36.94 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -76.88 -0.98 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.783 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.0 pt -79.8 -55.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ILE . 8.9 t 50.61 20.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 63' ' ' THR . 2.7 p -161.05 -173.45 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.444 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 1.043 HG22 HG21 ' A' ' 11' ' ' ILE . 94.9 t -94.19 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.4 tt0 -39.38 -52.81 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -46.49 -49.62 18.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -29.4 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.879 ' CG1' HG11 ' A' ' 7' ' ' VAL . 82.3 mt -80.59 -66.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -42.31 -28.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.473 ' CZ ' HD13 ' A' ' 54' ' ' ILE . 5.0 t80 -79.5 -44.11 21.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.736 HG21 HD11 ' A' ' 3' ' ' ILE . 4.6 mm -63.03 -27.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.7 -41.88 29.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.82 -18.82 41.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.619 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.9 pt-20 -66.55 -42.92 86.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -50.86 -21.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -103.08 -32.94 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 3' ' ' ILE . 54.4 t -52.86 -53.32 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -45.97 -43.2 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -62.23 -48.39 80.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.802 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -51.5 -51.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ILE . . . . . 0.67 HG21 HG22 ' A' ' 65' ' ' VAL . 20.8 mm -72.72 -27.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.52 -25.32 72.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -104.0 -55.81 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 11.9 mm100 -46.9 -64.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.4 mt -60.49 -45.76 92.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.5 53.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -172.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -83.08 178.59 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.2 3.86 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.53 -32.67 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 5.86 28.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 22' ' ' VAL . 54.0 t -113.64 75.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.691 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 41.5 p -78.19 175.48 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.78 -43.56 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.86 50.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.691 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -122.55 95.56 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.32 77.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.1 p90 -39.65 -36.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.02 -69.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -100.24 -48.37 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.255 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 27' ' ' SER . 4.7 m-20 -39.01 -67.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.2 mt -87.0 -86.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.65 97.68 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.73 94.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.83 24.04 7.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 27.36 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.733 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -85.33 -40.14 16.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 1.006 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 m -105.09 -69.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 85.1 t -33.28 -65.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -57.71 -57.38 13.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -39.42 -40.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 39' ' ' THR . 6.2 t -53.55 -72.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' MET . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' VAL . 2.3 mmt -32.73 -53.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.71 -68.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LEU . . . . . 1.032 HD12 HD21 ' A' ' 42' ' ' LEU . 38.4 mt -51.16 -25.5 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 52' ' ' THR . 28.4 mt-10 -73.34 -53.15 11.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -31.79 26.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.51 ' O ' ' C ' ' A' ' 51' ' ' ASP . 32.5 m-85 -114.85 43.17 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' GLU . 38.2 m-20 32.06 56.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 47' ' ' GLU . 12.2 t -100.9 -148.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . 0.635 ' N ' HG23 ' A' ' 52' ' ' THR . 2.1 pt-20 -178.89 66.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.8 HG12 HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -46.45 104.41 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.579 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.59 30.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASP . . . . . 0.723 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 60.3 t0 -44.42 -53.2 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.86 -22.66 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -66.14 -29.63 69.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' THR . 2.1 tt0 -72.24 -8.54 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -7.58 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 HG12 ' A' ' 54' ' ' ILE . 2.8 pt -110.46 17.63 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.1 p -35.78 -33.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.1 p -105.03 165.06 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HG21 ' A' ' 11' ' ' ILE . 44.8 t -69.98 -46.09 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.58 -54.29 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.92 -47.62 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -51.25 -21.92 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -92.91 -47.74 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -68.25 -9.23 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -89.72 -57.18 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 3' ' ' ILE . 4.3 mm -60.39 -17.5 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.48 -33.9 15.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.33 12.33 60.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.633 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 41.1 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.051 -0.351 . . . . 0.0 110.051 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.482 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 31.1 p -85.08 49.66 1.79 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 110.358 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.981 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -114.78 -50.87 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.319 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.477 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.4 pt-20 -77.28 -52.93 8.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 110.287 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 2.6 pt-20 -46.92 -24.1 0.55 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 110.309 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 34.8 mtp85 -97.0 -33.09 11.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.299 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.981 HG23 ' O ' ' A' ' 3' ' ' ILE . 6.5 t -50.47 -55.34 6.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.13 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.492 ' HB3' HG11 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -45.02 -46.27 11.18 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 179.965 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 12' ' ' GLY . 12.9 tttt -58.49 -55.26 37.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.473 HG23 ' CB ' ' A' ' 45' ' ' ALA . 39.3 mt -44.22 -51.68 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.014 HG13 HG13 ' A' ' 65' ' ' VAL . 13.0 mm -72.33 -27.01 25.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.56 1.163 . . . . 0.0 109.273 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.63 -20.03 79.77 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.476 1.11 . . . . 0.0 110.99 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 16' ' ' GLY . 0.8 OUTLIER -111.81 -59.09 2.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 0.756 . . . . 0.0 110.26 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 10' ' ' ILE . 9.0 mm100 -40.2 -65.2 0.43 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.143 . . . . 0.0 110.299 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.968 HD12 ' CD2' ' A' ' 28' ' ' PHE . 1.5 mt -57.53 -29.66 64.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' GLN . . . 88.14 83.88 1.23 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 110.981 179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.452 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 35.0 m -152.86 -169.93 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 0.765 . . . . 0.0 109.349 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.6 mptt -87.38 175.23 8.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.458 1.099 . . . . 0.0 109.32 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -107.42 57.82 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.097 . . . . 0.0 110.295 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -159.93 -44.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -69.33 -8.63 48.02 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.445 1.091 . . . . 0.0 110.254 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.82 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 8.5 t -73.44 121.56 24.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.515 1.134 . . . . 0.0 109.297 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.8 p -118.87 -151.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.122 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -134.99 32.84 3.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 15.2 t-20 -177.31 62.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.577 1.173 . . . . 0.0 109.313 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.431 ' O ' ' N ' ' A' ' 28' ' ' PHE . . . -145.82 117.56 8.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.456 1.097 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.503 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 15.9 m -67.28 69.31 0.09 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 110.005 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.968 ' CD2' HD12 ' A' ' 15' ' ' LEU . 4.3 m-85 -33.16 -51.81 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.579 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -38.83 -87.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.448 1.092 . . . . 0.0 109.337 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.579 ' H ' HG23 ' A' ' 29' ' ' VAL . 6.7 tm-20 -70.05 -55.43 9.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.235 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.503 ' CB ' ' O ' ' A' ' 27' ' ' SER . 21.2 t0 -37.78 -65.83 0.3 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -88.39 -86.58 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.32 96.04 0.11 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.473 1.108 . . . . 0.0 111.007 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.669 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -140.03 77.56 1.62 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 109.311 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.64 30.25 6.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.754 ' HB3' HD23 ' A' ' 37' ' ' LEU . 1.3 m -155.45 -52.32 0.09 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.47 1.106 . . . . 0.0 110.046 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.754 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -115.83 44.28 1.94 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.292 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.669 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 1.3 t70 -88.5 -85.83 0.18 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.492 1.12 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.856 ' O ' HG23 ' A' ' 43' ' ' VAL . 5.3 t -78.36 -49.51 13.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' A' ' 39' ' ' THR . 72.0 t -38.92 -30.71 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.458 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -101.07 -61.91 1.31 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.316 179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.968 HD21 HD12 ' A' ' 46' ' ' LEU . 0.9 OUTLIER -40.05 -46.58 2.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.08 HG22 HG23 ' A' ' 54' ' ' ILE . 51.6 t -49.02 -65.64 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.127 . . . . 0.0 109.303 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 4.5 mtp -45.06 -53.41 7.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.3 -69.31 0.17 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.968 HD12 HD21 ' A' ' 42' ' ' LEU . 40.2 mt -49.81 -22.8 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.89 -51.28 9.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.25 -35.1 76.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.286 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -57.8 -27.37 63.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 110.313 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.6 m-85 -155.74 -82.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 111.002 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.07 97.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.685 ' O ' HG23 ' A' ' 52' ' ' THR . 14.8 t -171.42 94.88 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 110.394 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -64.84 74.15 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 110.321 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.08 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.52 105.28 0.48 Allowed Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.565 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.98 145.0 31.0 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.503 1.791 . . . . 0.0 111.016 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.714 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -46.43 -42.44 15.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -50.11 -37.81 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.426 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.86 -15.9 19.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.326 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.714 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -71.72 -29.0 64.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.596 ' O ' HG23 ' A' ' 63' ' ' THR . 3.9 tt0 -68.27 -8.39 39.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.453 1.095 . . . . 0.0 110.35 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.96 -14.34 17.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.676 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 3.4 pt -105.58 18.04 5.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.596 HG23 ' O ' ' A' ' 60' ' ' GLU . 77.3 p -35.37 -34.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.431 1.082 . . . . 0.0 110.416 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' ILE . 56.8 p -90.86 -144.45 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 110.387 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.014 HG13 HG13 ' A' ' 11' ' ' ILE . 3.9 t -120.72 -44.67 2.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.5 tt0 -51.39 -51.75 51.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 110.328 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.676 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -50.87 -36.83 39.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.124 . . . . 0.0 109.338 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.532 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -65.82 -22.01 66.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.249 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.633 ' CD1' HG11 ' A' ' 7' ' ' VAL . 1.3 mp -88.0 -58.62 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.117 . . . . 0.0 109.349 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -56.03 -18.56 9.81 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -81.03 -46.45 15.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.618 HG21 HD11 ' A' ' 3' ' ' ILE . 2.5 mm -72.56 -19.58 19.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.404 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.0 OUTLIER -92.78 -32.43 14.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.17 -10.45 59.48 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -92.81 -52.02 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 0.784 . . . . 0.0 109.625 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -115.02 77.61 1.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.404 ' HB2' ' O ' ' A' ' 73' ' ' ASN . . . . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.4 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.411 ' HA ' ' HG2' ' A' ' 5' ' ' GLU . 1.6 p -90.11 31.47 0.99 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.87 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -112.05 -48.59 6.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.52 ' HB3' HG21 ' A' ' 69' ' ' ILE . 0.0 OUTLIER -66.13 -20.37 66.13 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 110.263 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.411 ' HG2' ' HA ' ' A' ' 2' ' ' THR . 13.5 pt-20 -71.73 -24.78 61.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.274 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 13.3 mtp85 -104.35 -21.16 13.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.466 1.104 . . . . 0.0 110.266 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.87 HG23 ' O ' ' A' ' 3' ' ' ILE . 59.4 t -63.11 -41.42 92.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.24 -38.89 59.42 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.455 ' O ' ' N ' ' A' ' 13' ' ' GLN . 6.4 mtmp? -60.29 -49.99 75.42 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.904 HD13 HD23 ' A' ' 46' ' ' LEU . 62.3 mt -49.07 -53.2 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 109.311 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.999 HG21 HG22 ' A' ' 65' ' ' VAL . 35.5 mm -71.29 -26.55 27.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.358 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.88 -25.21 72.27 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.1 mm100 -104.75 -57.06 2.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 0.75 . . . . 0.0 110.27 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.439 ' N ' ' O ' ' A' ' 10' ' ' ILE . 27.1 mm-40 -42.01 -64.78 0.53 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.568 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.3 mt -63.84 -25.22 68.07 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 78.31 60.95 2.57 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.402 ' CG2' ' HA2' ' A' ' 12' ' ' GLY . 32.7 m -127.47 -173.92 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 0.812 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 10.2 mptt -83.88 179.43 7.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pt20 -99.89 -12.88 19.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.103 . . . . 0.0 110.285 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -98.14 -25.32 14.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -87.22 6.95 30.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 110.314 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.416 HG12 ' CG ' ' A' ' 8' ' ' LYS . 23.0 t -114.83 136.31 51.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 82.8 p -142.99 174.82 10.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 110.43 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.443 ' O ' ' ND2' ' A' ' 25' ' ' ASN . 4.0 p30 -92.58 74.66 5.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' ND2' ' O ' ' A' ' 24' ' ' ASN . 2.9 p30 162.21 -28.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.303 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -51.77 150.44 4.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.631 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.8 OUTLIER -119.65 79.05 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.61 ' CE1' ' O ' ' A' ' 63' ' ' THR . 3.1 p90 -41.59 -35.66 0.78 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.81 ' HA ' ' HB3' ' A' ' 34' ' ' ALA . 0.0 OUTLIER -37.61 -80.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.582 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.0 OUTLIER -95.85 -41.94 8.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.31 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 27.5 t0 -40.33 -59.51 1.28 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.568 1.167 . . . . 0.0 109.321 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.2 mp -101.84 -108.57 0.23 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.93 80.53 0.16 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.508 1.13 . . . . 0.0 110.98 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.81 ' HB3' ' HA ' ' A' ' 29' ' ' VAL . . . -98.6 57.04 1.14 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 0.784 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -116.19 19.34 14.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.301 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.432 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -158.08 99.57 1.66 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.517 1.136 . . . . 0.0 110.012 -179.952 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.432 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.06 31.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.445 1.091 . . . . 0.0 109.292 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.786 ' HB3' ' HB1' ' A' ' 34' ' ' ALA . 0.2 OUTLIER -75.84 -81.9 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.303 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.418 HG22 ' OD1' ' A' ' 38' ' ' ASP . 0.7 OUTLIER -88.99 18.63 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 110.399 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 76.9 t -108.97 -43.99 6.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.14 . . . . 0.0 109.346 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -83.43 -42.39 17.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.321 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.008 HD21 HD12 ' A' ' 46' ' ' LEU . 2.2 tt -47.74 -39.2 17.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.335 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.688 HG22 HG23 ' A' ' 54' ' ' ILE . 24.9 t -55.95 -67.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.467 1.105 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 18.7 mmt -43.88 -54.81 4.99 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.34 -69.24 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.008 HD12 HD21 ' A' ' 42' ' ' LEU . 15.3 mt -49.23 -23.26 1.27 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -78.84 -52.73 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.108 . . . . 0.0 110.319 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.27 -34.81 72.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -50.41 -42.07 53.24 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.117 . . . . 0.0 110.247 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.437 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 2.3 m-85 -147.73 -74.13 0.2 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 110.942 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.437 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.2 OUTLIER 160.36 97.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.254 -179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.66 ' O ' HG23 ' A' ' 52' ' ' THR . 12.8 t -171.89 93.53 0.14 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.365 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.2 70.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.301 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.688 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -45.5 103.61 0.35 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 109.303 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.548 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.02 144.47 30.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.552 1.817 . . . . 0.0 110.969 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.694 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.9 t70 -45.86 -40.52 10.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.323 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.5 mm-40 -54.35 -40.82 68.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.522 ' C ' HD11 ' A' ' 54' ' ' ILE . 2.3 mt-10 -96.65 -8.47 31.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.561 1.163 . . . . 0.0 110.285 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.694 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -83.54 -8.96 59.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -77.38 -17.91 57.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 1.109 . . . . 0.0 110.265 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -94.12 -11.67 30.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.31 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.659 HD13 HG12 ' A' ' 54' ' ' ILE . 3.1 pt -103.12 16.0 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.614 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -36.73 -31.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.366 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.631 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.4 p -107.47 165.86 11.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.098 . . . . 0.0 110.375 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.999 HG22 HG21 ' A' ' 11' ' ' ILE . 42.3 t -66.98 -50.45 64.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.451 1.095 . . . . 0.0 109.304 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.507 ' HA ' HD13 ' A' ' 69' ' ' ILE . 1.5 tt0 -47.8 -54.23 12.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.38 -19.09 13.13 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.467 1.104 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.741 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -79.66 1.39 26.51 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.321 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.7 HD12 ' O ' ' A' ' 65' ' ' VAL . 3.3 mp -109.51 -66.69 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -46.13 -25.78 0.65 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 109.328 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.418 ' N ' ' C ' ' A' ' 69' ' ' ILE . 2.9 t80 -78.38 -40.24 36.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 111.007 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.433 ' N ' ' O ' ' A' ' 69' ' ' ILE . 11.8 mm -70.24 -33.64 55.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -82.5 -28.29 31.22 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.312 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.1 10.87 61.91 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.505 1.128 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.9 t-80 -128.56 -53.82 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 0.785 . . . . 0.0 109.609 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.7 mp0 -101.06 88.0 3.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 -179.986 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.4 m . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 p -86.02 12.08 10.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.684 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -102.04 -52.42 8.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.326 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.5 pt-20 -52.44 -36.56 54.85 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.433 ' N ' ' HG3' ' A' ' 4' ' ' GLU . 6.5 pt-20 -66.81 -32.89 74.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.485 ' O ' ' CG ' ' A' ' 9' ' ' LYS . 36.2 mtp180 -84.69 -6.54 59.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 110.28 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.942 HG11 HG13 ' A' ' 69' ' ' ILE . 25.3 t -83.15 -34.14 10.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 12' ' ' GLY . 1.2 mmtp -62.45 -38.43 89.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 6' ' ' ARG . 5.8 pttt -66.81 -42.89 85.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.894 HG23 ' CB ' ' A' ' 45' ' ' ALA . 79.7 mt -59.45 -53.19 51.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.307 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.83 HG21 HG22 ' A' ' 65' ' ' VAL . 15.2 mm -72.11 -24.29 22.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -75.29 -25.45 68.39 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.472 1.108 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -105.02 -53.2 2.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 0.793 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.429 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 28.9 mm-40 -48.16 -64.14 0.88 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.827 ' N ' HD23 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -65.78 -43.04 89.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 102.29 66.35 0.76 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.493 1.121 . . . . 0.0 110.996 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.661 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -135.59 178.31 5.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.661 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.1 OUTLIER -89.31 176.16 7.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.274 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 pm0 -95.32 4.21 53.67 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -110.07 -39.55 4.99 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.136 . . . . 0.0 110.317 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -78.5 -20.99 49.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.561 1.163 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 3.7 t -81.51 111.87 18.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.433 ' C ' ' NZ ' ' A' ' 8' ' ' LYS . 13.6 p -119.93 176.29 5.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.103 . . . . 0.0 110.43 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.0 m-80 -63.8 -45.13 91.06 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -102.22 55.64 0.79 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.426 ' HB2' ' H ' ' A' ' 23' ' ' THR . . . -110.1 90.38 3.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.565 ' OG ' HG23 ' A' ' 29' ' ' VAL . 5.5 t -70.21 61.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.433 1.083 . . . . 0.0 109.948 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.815 ' CE1' HG13 ' A' ' 29' ' ' VAL . 20.1 p90 -35.57 -41.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.962 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.815 HG13 ' CE1' ' A' ' 28' ' ' PHE . 0.0 OUTLIER -43.43 -69.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.542 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -91.06 -52.34 4.88 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.313 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.451 ' N ' ' O ' ' A' ' 27' ' ' SER . 1.0 OUTLIER -40.7 -61.54 0.93 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.294 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.585 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.3 mp -97.37 -102.42 0.19 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.353 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.427 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.94 93.61 0.09 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.009 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.615 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -150.76 88.99 1.51 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.493 0.761 . . . . 0.0 109.29 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -123.35 20.61 9.65 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -129.55 -80.23 0.56 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.139 . . . . 0.0 109.978 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.19 29.56 1.63 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.336 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.814 ' HA ' HD22 ' A' ' 15' ' ' LEU . 3.2 p-10 -83.75 -50.52 8.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 1.103 . . . . 0.0 109.308 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.869 ' O ' HG23 ' A' ' 43' ' ' VAL . 2.5 t -95.9 -32.57 12.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.434 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.445 ' O ' ' N ' ' A' ' 43' ' ' VAL . 55.3 t -66.19 -83.2 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.279 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.405 ' C ' ' O ' ' A' ' 40' ' ' VAL . 6.0 mt-10 -37.86 -48.77 1.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.006 HD21 HD12 ' A' ' 46' ' ' LEU . 5.0 tt -41.79 -47.91 4.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.869 HG23 ' O ' ' A' ' 39' ' ' THR . 22.6 t -46.93 -75.69 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.121 . . . . 0.0 109.345 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.412 ' C ' ' O ' ' A' ' 43' ' ' VAL . 46.0 mtt -36.18 -53.39 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.547 1.155 . . . . 0.0 111.037 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.894 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.04 -69.57 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.006 HD12 HD21 ' A' ' 42' ' ' LEU . 17.9 mt -49.31 -23.1 1.27 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.504 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.1 mm-40 -79.23 -52.28 8.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.76 -35.15 70.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 0.0 110.288 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -52.48 -43.15 64.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.502 1.126 . . . . 0.0 110.343 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.487 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -145.13 -72.68 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 110.98 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.487 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.3 m-20 156.57 99.25 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.625 ' O ' HG23 ' A' ' 52' ' ' THR . 8.7 t -172.93 94.58 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.431 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.456 ' CG ' ' O ' ' A' ' 53' ' ' GLU . 5.3 pt-20 -63.66 75.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.668 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.3 OUTLIER -57.16 109.38 1.69 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.663 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.98 147.46 34.05 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.549 1.815 . . . . 0.0 111.032 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.454 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 21.9 t70 -56.45 -34.96 67.35 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -54.7 -35.23 63.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -102.1 -10.17 19.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 110.304 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.668 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.29 12.58 29.79 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.453 1.096 . . . . 0.0 109.328 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' N ' ' O ' ' A' ' 56' ' ' ASP . 11.9 tp10 -103.92 -19.24 14.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.432 1.082 . . . . 0.0 110.323 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 34.4 mttt -94.73 6.62 48.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 109.359 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.9 pt -92.49 -56.99 4.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.273 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.556 ' HB ' HG21 ' A' ' 29' ' ' VAL . 11.3 p 46.54 22.32 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 110.414 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.516 HG23 ' C ' ' A' ' 63' ' ' THR . 28.0 p -157.79 176.18 12.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.142 . . . . 0.0 110.405 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.83 HG22 HG21 ' A' ' 11' ' ' ILE . 42.2 t -86.5 -53.93 9.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.582 ' HA ' HD12 ' A' ' 69' ' ' ILE . 18.1 tp60 -40.44 -54.18 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 0.0 110.272 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.722 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -47.21 -49.21 23.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.322 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.527 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -55.32 -30.58 60.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.942 HG13 HG11 ' A' ' 7' ' ' VAL . 7.8 mt -81.73 -56.04 6.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.94 -20.05 8.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.421 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -84.92 -49.85 8.01 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.52 1.137 . . . . 0.0 110.977 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.684 HG21 HD11 ' A' ' 3' ' ' ILE . 17.0 mm -59.2 -23.92 26.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.2 m-80 -90.47 -34.48 15.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.521 1.138 . . . . 0.0 109.302 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.3 19.95 32.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.521 1.138 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -119.76 -61.23 1.63 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.434 0.726 . . . . 0.0 109.603 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -41.82 131.65 3.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.28 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 109.314 179.993 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 57.0 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 110.014 -0.365 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.9 p -90.67 31.81 1.02 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.095 . . . . 0.0 110.396 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.622 HD11 HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -121.49 -42.31 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' ILE . 3.0 tt0 -68.93 -52.76 25.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 1.091 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 3.1 pt-20 -42.4 -28.16 0.19 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.454 ' O ' ' N ' ' A' ' 9' ' ' LYS . 6.6 mtp85 -92.8 -51.24 5.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.566 ' HA ' HD12 ' A' ' 10' ' ' ILE . 5.7 t -43.16 -37.94 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -50.9 -43.83 59.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 0.0 109.258 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 6' ' ' ARG . 19.6 mttt -57.18 -52.24 66.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.914 HG23 ' CB ' ' A' ' 45' ' ' ALA . 52.6 mt -46.27 -52.06 3.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.72 HG21 HG22 ' A' ' 65' ' ' VAL . 10.9 mm -72.63 -27.61 25.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.49 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.0 -25.27 75.12 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.47 1.106 . . . . 0.0 110.971 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.8 mm100 -105.04 -58.21 1.92 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 0.771 . . . . 0.0 110.287 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' OE1' ' C ' ' A' ' 41' ' ' GLU . 27.6 mm-40 -40.87 -64.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.79 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -63.32 -51.77 64.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.137 . . . . 0.0 109.262 179.979 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.504 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 106.84 76.39 1.0 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.531 1.144 . . . . 0.0 111.0 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.555 HG11 HD22 ' A' ' 32' ' ' LEU . 15.9 m -155.17 -179.2 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.443 0.731 . . . . 0.0 109.304 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -75.03 175.33 8.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.132 . . . . 0.0 109.305 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -96.16 -6.18 38.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.314 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.35 -43.62 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -69.4 -25.43 64.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.281 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 22' ' ' VAL . 1.5 p -87.1 113.47 24.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.285 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.41 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.2 p -129.44 -162.41 1.2 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.141 . . . . 0.0 110.39 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 7.5 p-10 -84.5 -48.14 9.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 10.6 p30 -98.39 55.83 1.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.41 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -133.02 91.35 2.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.54 1.15 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -68.04 78.44 0.23 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.023 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.592 ' CZ ' ' O ' ' A' ' 63' ' ' THR . 4.3 p90 -38.57 -37.2 0.3 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.113 . . . . 0.0 111.014 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.606 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.65 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.259 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.606 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.3 tm-20 -74.06 -53.98 8.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -39.81 -69.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.337 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.555 HD22 HG11 ' A' ' 17' ' ' VAL . 1.9 mp -89.05 -107.46 0.08 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -175.28 85.59 0.07 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.628 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -108.55 61.96 0.61 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 0.779 . . . . 0.0 109.323 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.73 24.07 13.28 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.527 ' O ' HD12 ' A' ' 37' ' ' LEU . 1.6 t -174.21 113.54 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.445 1.09 . . . . 0.0 109.989 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD12 ' O ' ' A' ' 36' ' ' SER . 0.2 OUTLIER 72.49 24.23 2.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.565 1.166 . . . . 0.0 109.28 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.714 ' HA ' HD22 ' A' ' 15' ' ' LEU . 15.9 p-10 -74.65 -50.78 16.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.051 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -102.48 -60.07 1.6 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 74.7 t -33.67 -57.48 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.342 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.404 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -65.55 -58.5 5.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 110.3 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.132 HD21 HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -40.8 -39.85 1.21 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 109.298 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.051 HG23 ' O ' ' A' ' 39' ' ' THR . 22.0 t -52.11 -65.67 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -49.21 -52.5 26.54 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.914 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.3 -65.66 0.57 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.123 . . . . 0.0 109.305 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.132 HD12 HD21 ' A' ' 42' ' ' LEU . 13.1 mt -52.46 -21.52 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.472 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.8 OUTLIER -81.01 -51.66 8.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 110.32 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.04 -34.8 78.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -42.27 -44.19 3.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.143 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -151.71 -73.63 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 110.964 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.433 ' O ' ' CE1' ' A' ' 75' ' ' HIS . 2.7 p-10 168.02 91.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 52' ' ' THR . 8.1 t -175.54 105.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 110.394 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.472 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 8.3 pt-20 -74.76 110.45 9.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.998 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -58.39 112.19 4.59 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.467 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 144.26 30.13 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.512 1.796 . . . . 0.0 111.035 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.455 ' O ' ' N ' ' A' ' 58' ' ' GLU . 0.5 OUTLIER -44.78 -61.63 1.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.7 mm-40 -38.69 -29.78 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.967 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -96.73 -38.82 9.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 56' ' ' ASP . . . -47.69 -30.02 3.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.05 -40.26 12.41 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 0.0 110.34 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.8 mttt -71.0 -8.69 55.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.53 1.144 . . . . 0.0 109.327 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.967 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.9 pt -103.42 20.17 3.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.106 . . . . 0.0 109.289 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.592 ' O ' ' CZ ' ' A' ' 28' ' ' PHE . 1.2 t -36.97 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.098 . . . . 0.0 110.394 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ILE . 2.8 p -104.69 164.21 11.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.397 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.72 HG22 HG21 ' A' ' 11' ' ' ILE . 61.8 t -70.5 -48.52 58.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.353 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.958 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.3 tt0 -39.47 -54.16 1.96 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 110.343 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.492 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -49.78 -44.43 48.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.634 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -57.67 -23.31 50.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.958 HD12 ' HA ' ' A' ' 66' ' ' GLN . 9.1 mt -87.06 -42.72 15.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.12 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -71.35 -17.17 62.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.412 ' CD1' ' C ' ' A' ' 71' ' ' TYR . 0.4 OUTLIER -83.04 -48.77 10.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.978 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.622 HG21 HD11 ' A' ' 3' ' ' ILE . 5.1 mm -65.04 -30.0 49.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.456 ' ND2' HG21 ' A' ' 3' ' ' ILE . 6.8 m-20 -80.38 -35.98 34.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.116 . . . . 0.0 109.249 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.0 22.6 21.62 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . 0.433 ' CE1' ' O ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -96.32 -51.73 4.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.637 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -45.54 -63.44 0.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.295 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.8 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 5.6 p -92.07 32.64 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.614 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -116.3 -51.08 4.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.693 ' HB3' HG21 ' A' ' 69' ' ' ILE . 11.5 pt-20 -62.84 -52.21 64.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.346 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.444 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.5 pt-20 -42.95 -32.75 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 44.5 mtp85 -86.92 -40.21 15.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.992 HG11 HG13 ' A' ' 69' ' ' ILE . 37.7 t -47.63 -46.94 11.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.546 1.154 . . . . 0.0 109.333 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.7 OUTLIER -52.74 -38.24 60.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -64.04 -52.99 56.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.149 . . . . 0.0 109.268 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.84 HG23 ' CB ' ' A' ' 45' ' ' ALA . 36.7 mt -48.5 -55.63 2.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.774 HG21 HG22 ' A' ' 65' ' ' VAL . 11.2 mm -69.6 -26.09 30.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.71 -25.04 73.12 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.549 1.155 . . . . 0.0 110.994 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.8 mm-40 -105.12 -59.23 1.78 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 0.753 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 13.3 mm-40 -43.12 -66.47 0.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.678 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.8 mt -55.3 -57.51 11.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.41 60.06 0.32 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 16.8 m -140.18 -173.62 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.527 0.781 . . . . 0.0 109.284 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.84 -174.5 5.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.259 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.68 -53.08 3.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.308 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.5 tt0 -58.59 -45.2 89.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.155 . . . . 0.0 110.271 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.592 ' O ' HG23 ' A' ' 23' ' ' THR . 0.2 OUTLIER -53.73 -50.08 66.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 0.0 110.33 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 70.8 t -56.14 138.42 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.453 1.096 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.592 HG23 ' O ' ' A' ' 21' ' ' GLU . 62.1 p -133.54 172.43 12.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.343 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.7 m-80 -91.27 39.1 0.99 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -178.41 37.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.137 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.576 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -125.79 129.08 48.73 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.489 1.118 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.426 ' O ' ' C ' ' A' ' 28' ' ' PHE . 3.4 m -93.33 76.41 4.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.012 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.781 ' HA ' HD12 ' A' ' 32' ' ' LEU . 8.4 p90 -35.25 -40.51 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.598 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -40.08 -75.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.525 1.141 . . . . 0.0 109.31 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.598 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.2 OUTLIER -79.2 -59.19 2.86 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 110.317 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.415 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.3 OUTLIER -39.43 -70.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.781 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.1 mt -84.34 -104.79 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.439 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -178.22 91.28 0.08 OUTLIER Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.503 1.127 . . . . 0.0 110.976 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -142.14 79.95 1.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.291 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -121.13 45.04 2.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.453 1.096 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.94 -74.75 0.06 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.57 HD22 ' OE1' ' A' ' 41' ' ' GLU . 0.4 OUTLIER -92.63 30.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.334 179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.629 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.6 t0 -67.58 -84.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.066 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.4 m -76.39 -59.23 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.517 ' C ' ' O ' ' A' ' 39' ' ' THR . 5.3 t -30.87 -60.74 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.57 ' OE1' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -65.31 -60.5 2.91 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.315 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.993 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -38.08 -42.07 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.066 HG23 ' O ' ' A' ' 39' ' ' THR . 26.3 t -49.66 -66.63 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -45.82 -55.51 6.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.84 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.1 -64.66 0.77 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.993 HD12 HD21 ' A' ' 42' ' ' LEU . 16.5 mt -51.86 -21.85 3.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.451 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER -81.47 -53.08 6.59 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.524 1.14 . . . . 0.0 110.315 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.72 -34.96 75.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -42.96 -62.79 0.93 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -128.63 -66.66 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.483 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 2.1 m-20 157.48 85.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.14 . . . . 0.0 109.327 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' CD1' ' A' ' 72' ' ' ILE . 10.2 t -168.92 108.65 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 0.0 110.381 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.451 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 6.3 pt-20 -73.33 94.14 2.0 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.919 HG22 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -39.69 120.58 1.41 Allowed Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.275 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.732 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -74.96 144.68 30.68 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.485 1.781 . . . . 0.0 111.009 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.507 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 34.5 t0 -65.18 -56.76 11.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -39.6 -29.17 0.05 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.827 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.1 OUTLIER -100.45 -41.63 6.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.441 1.088 . . . . 0.0 110.292 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.833 ' HB2' HD12 ' A' ' 54' ' ' ILE . . . -57.28 -17.57 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -99.62 -10.93 21.42 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.332 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 3.1 mttt -99.98 -14.89 18.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.135 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.827 HG23 ' O ' ' A' ' 58' ' ' GLU . 9.7 pt -74.99 -56.14 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 109.3 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.595 ' O ' HG23 ' A' ' 64' ' ' THR . 14.9 p 48.56 18.19 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 110.435 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.595 HG23 ' O ' ' A' ' 63' ' ' THR . 20.3 p -159.16 -170.01 2.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 110.416 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.774 HG22 HG21 ' A' ' 11' ' ' ILE . 43.9 t -96.05 -54.49 7.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 14.6 tp60 -38.13 -53.82 1.4 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.819 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -49.06 -47.75 44.64 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.591 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -54.97 -22.55 15.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 109.309 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.992 HG13 HG11 ' A' ' 7' ' ' VAL . 14.8 mt -92.7 -53.9 8.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -51.87 -23.33 4.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.579 ' CE2' HG12 ' A' ' 54' ' ' ILE . 0.9 OUTLIER -83.51 -47.38 11.4 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.537 1.148 . . . . 0.0 111.011 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.591 ' CD1' HG21 ' A' ' 52' ' ' THR . 7.2 mm -68.67 -16.65 21.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.344 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -89.07 -30.12 18.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.09 -2.81 67.1 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -115.22 -72.82 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 0.738 . . . . 0.0 109.626 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 58.89 82.66 0.14 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.291 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.299 179.985 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 36.2 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.98 -0.378 . . . . 0.0 109.98 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.8 p -90.34 27.12 1.75 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.487 1.117 . . . . 0.0 110.436 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.625 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -114.37 -51.77 5.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.747 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.5 pt-20 -58.35 -33.57 69.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.316 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -62.93 -39.15 93.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.13 . . . . 0.0 110.331 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 22.3 mtp180 -82.47 -29.99 30.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.479 1.112 . . . . 0.0 110.274 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.791 HG11 HG13 ' A' ' 69' ' ' ILE . 11.9 t -55.83 -39.48 56.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 12' ' ' GLY . 17.9 mmtp -53.0 -37.13 61.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 109.299 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' GLN . 2.2 tttt -64.25 -51.45 63.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.439 1.087 . . . . 0.0 109.278 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.878 HG23 ' CB ' ' A' ' 45' ' ' ALA . 73.7 mt -48.67 -51.18 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.498 1.124 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.758 HG21 HG22 ' A' ' 65' ' ' VAL . 33.6 mm -72.4 -30.28 34.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.26 -179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.74 -24.74 76.16 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.536 1.148 . . . . 0.0 110.964 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -104.95 -58.13 1.93 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 0.767 . . . . 0.0 110.306 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.404 ' HA ' ' NE2' ' A' ' 14' ' ' GLN . 26.9 mm-40 -42.32 -65.04 0.51 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.518 1.136 . . . . 0.0 110.257 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.701 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.7 mt -65.76 -32.29 73.74 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 85.0 72.19 1.3 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 2.0 t -146.85 162.91 8.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.558 0.799 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.43 ' O ' HG23 ' A' ' 22' ' ' VAL . 13.3 mptt -71.86 177.14 4.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.463 1.102 . . . . 0.0 109.291 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.438 ' CG ' ' N ' ' A' ' 20' ' ' GLU . 8.6 pt20 -84.8 -43.32 14.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.304 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.438 ' N ' ' CG ' ' A' ' 19' ' ' GLN . 18.1 mt-10 -62.82 -44.1 97.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -66.86 -23.44 66.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG23 ' O ' ' A' ' 18' ' ' LYS . 3.2 t -83.9 117.62 29.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 77.8 p -128.29 148.06 50.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.569 1.168 . . . . 0.0 110.404 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 18.6 p30 -82.26 75.92 9.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.461 1.101 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 36.3 t-20 176.77 -36.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.682 ' HB1' ' CD1' ' A' ' 32' ' ' LEU . . . -49.11 141.13 8.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.807 ' HA ' HG22 ' A' ' 64' ' ' THR . 7.5 m -96.68 60.47 1.83 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 110.018 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.743 ' C ' HG23 ' A' ' 29' ' ' VAL . 35.3 m-85 -41.89 164.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 111.019 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.797 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.4 t 83.49 -50.55 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.257 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -102.35 -60.96 1.45 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 110.321 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.57 -88.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.682 ' CD1' ' HB1' ' A' ' 26' ' ' ALA . 0.1 OUTLIER -42.56 -91.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.09 97.77 0.12 Allowed Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.528 1.143 . . . . 0.0 110.983 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.797 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -151.47 75.67 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.489 0.758 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -123.71 40.54 3.7 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 1.6 m -157.48 -70.75 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.557 1.16 . . . . 0.0 109.995 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -100.37 33.98 2.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.263 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.646 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.0 t0 -79.63 -90.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.899 ' O ' HG23 ' A' ' 43' ' ' VAL . 10.2 t -70.05 -53.52 17.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.13 . . . . 0.0 110.422 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.538 HG12 ' OE1' ' A' ' 41' ' ' GLU . 50.2 t -36.28 -35.33 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.538 ' OE1' HG12 ' A' ' 40' ' ' VAL . 0.2 OUTLIER -97.1 -60.08 1.66 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 110.308 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.945 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -40.47 -46.93 2.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.302 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.078 HG22 HG23 ' A' ' 54' ' ' ILE . 48.8 t -47.21 -65.66 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 29.2 mmt -47.29 -52.53 15.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.878 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.79 -70.69 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.945 HD12 HD21 ' A' ' 42' ' ' LEU . 23.0 mt -49.2 -23.68 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.8 OUTLIER -77.95 -51.02 11.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.283 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.58 -41.35 80.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.108 . . . . 0.0 110.271 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.8 tp10 -54.6 -34.49 62.08 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.264 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 5.2 m-85 -143.52 -83.42 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 111.013 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.489 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.9 OUTLIER 156.18 88.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.639 ' O ' HG23 ' A' ' 52' ' ' THR . 11.2 t -160.17 96.13 1.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 110.383 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.0 75.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.078 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.25 107.31 0.81 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.325 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.584 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.97 145.07 31.13 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.483 1.781 . . . . 0.0 111.007 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.743 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 4.9 p-10 -45.35 -51.18 11.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -41.75 -38.41 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -96.96 -22.6 16.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.743 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -64.99 -20.68 66.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -77.93 -45.42 24.05 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.324 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 5.9 mmtt -60.0 -15.62 23.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.347 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.728 HG22 ' HB1' ' A' ' 67' ' ' ALA . 11.1 pt -109.98 31.31 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.497 HG23 HG23 ' A' ' 64' ' ' THR . 0.5 OUTLIER -41.39 -28.36 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 110.401 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.807 HG22 ' HA ' ' A' ' 27' ' ' SER . 62.5 p -91.78 -158.56 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 110.401 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.758 HG22 HG21 ' A' ' 11' ' ' ILE . 79.7 t -108.76 -46.47 7.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.133 . . . . 0.0 109.365 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.818 ' HA ' HD12 ' A' ' 69' ' ' ILE . 5.0 tp-100 -46.87 -54.0 10.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.542 1.152 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.728 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -46.66 -49.46 19.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.112 . . . . 0.0 109.268 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.754 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -45.91 -28.29 1.08 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.818 HD12 ' HA ' ' A' ' 66' ' ' GLN . 6.5 mt -86.36 -58.84 3.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.547 1.155 . . . . 0.0 109.321 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 79.8 m-20 -49.14 -28.05 4.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.422 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 2.9 t80 -81.58 -36.62 28.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 111.013 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . . . . . . . . . 1.6 mm -73.01 -21.23 19.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.7 m-80 -84.97 -27.99 26.12 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.16 -1.52 63.96 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.508 1.13 . . . . 0.0 111.016 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.6 m170 -129.07 37.82 4.01 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 0.767 . . . . 0.0 109.575 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.2 mm-40 -76.43 68.51 2.78 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.256 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.259 -179.984 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 33.9 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.489 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 17.5 p -85.94 47.16 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 1.035 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -113.74 -51.87 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.29 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.543 ' HB3' HG21 ' A' ' 69' ' ' ILE . 23.1 pt-20 -73.7 -52.19 14.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 110.29 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.489 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -49.08 -25.11 1.88 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 110.283 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 42.5 mtp85 -93.37 -37.32 12.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.275 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.035 HG23 ' O ' ' A' ' 3' ' ' ILE . 38.3 t -51.33 -40.06 22.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 0.0 109.324 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.462 ' O ' ' N ' ' A' ' 12' ' ' GLY . 32.5 mmtm -51.19 -44.27 61.51 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.293 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.459 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.0 mttm -60.0 -58.47 8.39 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.909 HG23 ' CB ' ' A' ' 45' ' ' ALA . 3.3 mt -42.01 -55.08 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.874 HG13 HG13 ' A' ' 65' ' ' VAL . 16.8 mm -68.85 -29.93 45.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.483 1.114 . . . . 0.0 109.262 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.462 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -70.09 -24.12 76.73 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.497 1.123 . . . . 0.0 111.029 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' LYS . 6.8 mm-40 -105.91 -62.76 1.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.53 0.782 . . . . 0.0 110.311 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.452 ' N ' ' O ' ' A' ' 10' ' ' ILE . 30.3 mm-40 -38.39 -68.49 0.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.637 HD12 ' HD2' ' A' ' 28' ' ' PHE . 1.7 mt -54.69 -72.16 0.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.566 1.166 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 133.06 69.68 0.08 OUTLIER Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.8 m -143.96 -176.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 0.739 . . . . 0.0 109.297 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.15 -178.5 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -117.74 3.83 12.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -120.27 -39.62 2.77 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.319 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' O ' HG23 ' A' ' 23' ' ' THR . 29.1 mt-10 -66.54 -25.51 66.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.454 1.096 . . . . 0.0 110.262 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.678 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 4.9 t -55.96 120.98 3.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.516 HG23 ' O ' ' A' ' 21' ' ' GLU . 82.0 p -106.31 -165.79 1.13 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -126.01 37.18 4.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.145 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 50.8 t-20 -178.84 38.75 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.97 136.77 52.72 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.241 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -75.44 118.8 18.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.506 1.129 . . . . 0.0 109.996 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.714 ' CE1' HG21 ' A' ' 65' ' ' VAL . 3.4 m-85 -94.97 1.83 55.28 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.571 1.169 . . . . 0.0 110.986 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.627 HG13 ' O ' ' A' ' 34' ' ' ALA . 2.1 t -108.04 -40.57 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -88.48 -74.45 0.46 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.319 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.428 ' HB3' HD22 ' A' ' 32' ' ' LEU . 0.3 OUTLIER -47.21 -79.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 0.0 109.272 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.7 mm? -53.18 -97.2 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.263 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 158.43 100.79 0.17 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.515 1.135 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.627 ' O ' HG13 ' A' ' 29' ' ' VAL . . . -136.75 77.85 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.51 0.771 . . . . 0.0 109.294 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.37 44.19 2.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 2.6 t -171.56 -70.91 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.014 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.81 30.77 1.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.472 1.107 . . . . 0.0 109.297 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' HA ' HD22 ' A' ' 15' ' ' LEU . 4.4 t0 -71.59 -88.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.933 ' O ' HG23 ' A' ' 43' ' ' VAL . 15.2 t -80.4 -48.99 12.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.548 1.155 . . . . 0.0 110.412 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 98.5 t -37.33 -32.21 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.104 . . . . 0.0 109.275 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.474 ' N ' ' O ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -99.91 -60.93 1.44 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.548 1.155 . . . . 0.0 110.267 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.011 HD21 HD12 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -39.66 -46.0 1.76 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.301 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.933 HG23 ' O ' ' A' ' 39' ' ' THR . 48.2 t -47.52 -73.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.275 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 43' ' ' VAL . 31.5 mtt -37.32 -54.64 1.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.015 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.909 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.15 -70.5 0.11 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.541 1.151 . . . . 0.0 109.338 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 HD21 ' A' ' 42' ' ' LEU . 36.0 mt -48.28 -23.82 1.01 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.506 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.1 -53.27 7.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 110.292 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.63 -34.93 73.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 110.257 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.411 ' OE2' ' HA ' ' A' ' 49' ' ' GLU . 6.8 tp10 -54.55 -37.35 65.35 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.51 1.131 . . . . 0.0 110.263 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.463 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.5 OUTLIER -145.96 -79.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 0.0 110.966 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.463 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.4 m-20 159.34 93.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.141 . . . . 0.0 109.301 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.682 HG22 ' O ' ' A' ' 52' ' ' THR . 0.6 OUTLIER -169.76 94.87 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.563 1.165 . . . . 0.0 110.392 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -64.75 77.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.293 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.893 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -52.93 109.72 1.61 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 109.299 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.65 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.58 30.37 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 110.983 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.4 p-10 -54.01 -47.58 71.34 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.86 -22.88 0.91 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 110.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.29 -19.82 12.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.547 1.154 . . . . 0.0 110.256 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.866 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -99.05 11.96 37.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.28 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.469 ' N ' ' O ' ' A' ' 56' ' ' ASP . 57.8 tt0 -103.67 -24.27 13.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.345 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -90.64 -7.06 53.71 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.704 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 12.3 pt -77.05 -55.46 10.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.521 ' HA ' HG21 ' A' ' 29' ' ' VAL . 44.6 p 41.09 27.62 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.4 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.512 HG23 ' C ' ' A' ' 63' ' ' THR . 38.9 p -156.86 173.55 16.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.395 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.874 HG13 HG13 ' A' ' 11' ' ' ILE . 2.8 t -89.45 -41.09 13.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.302 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.8 tp-100 -54.75 -53.77 50.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 110.283 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.704 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -41.19 -59.24 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.412 ' HB1' ' CD1' ' A' ' 46' ' ' LEU . . . -42.94 -40.29 2.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 1.155 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.966 HG13 HG11 ' A' ' 7' ' ' VAL . 9.6 mt -76.09 -60.37 2.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -48.05 -24.28 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 109.317 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.577 ' OH ' HG23 ' A' ' 52' ' ' THR . 2.8 t80 -84.39 -51.99 6.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 111.012 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.564 HG21 HD11 ' A' ' 3' ' ' ILE . 3.7 mm -57.96 -33.07 45.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -71.18 -35.71 71.7 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -88.09 3.69 85.65 Favored Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.451 1.095 . . . . 0.0 110.985 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 13.8 t-80 -139.76 45.3 1.91 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 0.743 . . . . 0.0 109.597 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.68 84.92 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.152 . . . . 0.0 110.34 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.144 . . . . 0.0 109.345 -179.959 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.701 HG22 HH21 ' A' ' 6' ' ' ARG . 3.3 p -117.69 21.7 12.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.13 . . . . 0.0 110.417 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.762 HD13 ' CG2' ' A' ' 7' ' ' VAL . 0.0 OUTLIER -121.62 -51.85 3.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.34 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.468 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 12.0 pt-20 -60.95 -12.81 12.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.317 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' HG3' ' N ' ' A' ' 6' ' ' ARG . 8.5 pt-20 -101.33 -40.9 6.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 110.238 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.701 HH21 HG22 ' A' ' 2' ' ' THR . 0.1 OUTLIER -75.61 -30.8 59.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.835 HG22 HD21 ' A' ' 46' ' ' LEU . 2.3 t -54.08 -48.81 64.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.481 ' HZ2' ' HA ' ' A' ' 24' ' ' ASN . 18.4 mmtt -47.18 -44.1 21.83 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.482 1.114 . . . . 0.0 109.3 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 13' ' ' GLN . 8.3 mttm -63.09 -52.18 63.67 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 109.272 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.901 HG23 ' CB ' ' A' ' 45' ' ' ALA . 54.8 mt -47.84 -50.99 9.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.737 HG21 HG22 ' A' ' 65' ' ' VAL . 2.5 mm -73.11 -29.07 27.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -69.89 -24.9 76.15 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.41 1.069 . . . . 0.0 111.039 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 9' ' ' LYS . 1.7 mm100 -105.36 -59.71 1.72 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.316 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.473 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 90.1 mm-40 -40.74 -64.0 0.58 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.304 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.793 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -60.99 -41.14 95.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.147 . . . . 0.0 109.297 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.53 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 98.15 77.44 1.33 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.512 1.132 . . . . 0.0 111.011 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.53 HG13 ' O ' ' A' ' 16' ' ' GLY . 30.2 m -156.64 -172.15 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.312 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 3.7 mppt? -89.91 175.14 7.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -94.74 -49.63 5.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 0.0 110.309 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.19 -24.01 66.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.492 1.12 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.03 -56.74 4.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.438 1.086 . . . . 0.0 110.341 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.412 ' C ' ' CG2' ' A' ' 23' ' ' THR . 0.6 OUTLIER -59.59 151.66 5.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 109.305 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 24' ' ' ASN . 10.4 p -148.3 -137.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.4 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.481 ' HA ' ' HZ2' ' A' ' 8' ' ' LYS . 0.8 OUTLIER -111.09 -53.43 2.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.157 . . . . 0.0 109.289 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.422 ' ND2' ' O ' ' A' ' 25' ' ' ASN . 0.6 OUTLIER -72.37 -11.73 60.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -68.94 120.95 15.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.51 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 1.6 m -99.16 82.3 2.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 110.064 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.647 ' CB ' HD12 ' A' ' 15' ' ' LEU . 11.8 p90 -39.74 -36.66 0.45 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 111.023 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.602 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.78 -80.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.602 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.4 OUTLIER -100.54 -40.61 7.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 110.292 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' SER . 16.0 t70 -39.91 -42.92 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.45 ' CD1' ' HA ' ' A' ' 28' ' ' PHE . 1.9 mp -117.08 -74.75 0.59 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.293 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 157.12 99.73 0.16 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.503 1.127 . . . . 0.0 111.036 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.566 ' HB1' ' HB3' ' A' ' 38' ' ' ASP . . . -166.76 92.86 0.46 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.28 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -125.72 21.93 7.6 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.355 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -137.65 -71.09 0.43 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -92.46 23.49 3.95 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.567 1.167 . . . . 0.0 109.312 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.793 ' HA ' HD22 ' A' ' 15' ' ' LEU . 1.3 p-10 -75.99 -63.35 1.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.769 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.8 OUTLIER -85.4 -56.84 3.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.405 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.544 ' O ' HG23 ' A' ' 43' ' ' VAL . 21.0 t -41.25 -83.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.435 1.085 . . . . 0.0 109.264 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.532 ' N ' HG12 ' A' ' 40' ' ' VAL . 3.5 mt-10 -39.63 -54.09 2.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.305 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.804 HD21 ' CD1' ' A' ' 46' ' ' LEU . 0.3 OUTLIER -39.12 -40.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.769 HG23 ' O ' ' A' ' 39' ' ' THR . 26.9 t -54.06 -72.58 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.421 ' C ' ' O ' ' A' ' 43' ' ' VAL . 22.5 mtt -35.6 -52.96 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.945 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.901 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.84 -72.23 0.08 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 109.338 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.835 HD21 HG22 ' A' ' 7' ' ' VAL . 11.7 mt -46.94 -24.75 0.65 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.522 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.6 OUTLIER -75.49 -53.54 8.48 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 110.303 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.5 -34.79 78.55 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.477 1.11 . . . . 0.0 110.352 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.459 ' HB2' HD11 ' A' ' 10' ' ' ILE . 10.2 tp10 -44.07 -68.18 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.3 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.511 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.2 OUTLIER -125.36 -62.59 1.2 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.544 1.152 . . . . 0.0 111.025 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.511 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.8 m-20 155.41 97.33 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.58 1.175 . . . . 0.0 109.314 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.682 HG21 HD12 ' A' ' 72' ' ' ILE . 12.0 t -175.25 100.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.482 1.114 . . . . 0.0 110.406 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.461 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.2 OUTLIER -67.24 62.35 0.06 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.495 1.122 . . . . 0.0 110.285 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.853 HD13 ' CE2' ' A' ' 71' ' ' TYR . 0.3 OUTLIER -43.26 104.72 0.38 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.588 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -75.03 147.16 33.43 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.462 1.77 . . . . 0.0 111.034 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.691 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.9 OUTLIER -54.69 -46.24 74.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -39.94 -28.96 0.06 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 110.366 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.789 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.9 OUTLIER -112.91 -21.67 11.02 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.501 1.126 . . . . 0.0 110.256 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.691 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -87.24 -0.68 57.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER -104.69 -33.03 8.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -76.65 -2.95 35.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.274 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.852 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 9.8 pt -81.25 -56.71 5.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.303 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.619 HG23 ' C ' ' A' ' 62' ' ' ILE . 1.2 p 62.74 7.98 2.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.598 HG23 ' O ' ' A' ' 63' ' ' THR . 17.6 p -158.8 179.04 9.46 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.421 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.737 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -84.98 -40.1 14.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.436 1.085 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -49.72 -53.78 22.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.852 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -58.86 -16.34 16.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.602 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -88.58 -27.04 21.62 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.674 HG13 HG11 ' A' ' 7' ' ' VAL . 82.2 mt -87.91 -61.92 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -50.39 -22.61 1.93 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.853 ' CE2' HD13 ' A' ' 54' ' ' ILE . 1.5 t80 -79.39 -46.77 16.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.682 HD12 HG21 ' A' ' 52' ' ' THR . 25.9 mm -74.31 -12.66 15.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.457 1.098 . . . . 0.0 109.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -98.34 -32.49 11.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.244 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.0 2.96 87.63 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.521 1.138 . . . . 0.0 110.992 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.0 t-160 -107.25 -65.42 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 0.729 . . . . 0.0 109.577 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 4.7 tt0 -59.22 120.23 8.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.31 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 11.8 m . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.6 p -76.13 0.79 17.65 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.478 1.111 . . . . 0.0 110.437 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.537 HD13 HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -92.46 -51.07 11.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 109.27 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.673 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.3 pp20? -50.55 -35.34 29.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 14.7 pt-20 -70.13 -21.99 63.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 60.2 mtp85 -95.46 -27.91 15.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.306 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.746 HG11 HG13 ' A' ' 69' ' ' ILE . 55.8 t -60.43 -38.72 78.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.452 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.2 OUTLIER -55.06 -38.13 67.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' A' ' 12' ' ' GLY . 8.4 mtmt -63.96 -57.8 8.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.871 HG23 ' CB ' ' A' ' 45' ' ' ALA . 43.6 mt -45.61 -51.26 3.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.931 HG13 HG13 ' A' ' 65' ' ' VAL . 26.5 mm -71.87 -26.7 25.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.299 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -72.73 -25.2 74.58 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.457 1.098 . . . . 0.0 111.014 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 -104.38 -53.99 2.61 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.301 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.479 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 24.4 mm-40 -48.44 -64.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.279 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.619 ' HG ' HG23 ' A' ' 11' ' ' ILE . 6.5 mt -54.43 -59.52 4.57 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.253 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 116.08 53.12 0.36 Allowed Glycine 0 CA--C 1.531 1.067 0 O-C-N 124.519 1.137 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.724 HG12 ' H ' ' A' ' 18' ' ' LYS . 1.7 t -129.74 -173.68 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.551 0.794 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.724 ' H ' HG12 ' A' ' 17' ' ' VAL . 1.3 mptt -101.36 179.8 4.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -96.01 60.37 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.523 1.14 . . . . 0.0 110.298 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -159.3 -46.05 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 0.0 110.284 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -86.06 10.45 14.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.311 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.509 ' O ' HG12 ' A' ' 22' ' ' VAL . 2.7 t -109.81 96.5 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.838 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.8 p -108.71 -168.19 1.32 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.426 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.8 m-80 -86.52 -43.94 12.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.44 1.088 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 17.8 m-80 -93.13 34.71 1.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.838 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.4 84.46 1.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 28' ' ' PHE . 1.5 m -69.16 69.83 0.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.793 ' HD1' ' HB3' ' A' ' 34' ' ' ALA . 21.2 p90 -36.27 -34.72 0.06 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 111.005 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.582 ' N ' ' CD1' ' A' ' 28' ' ' PHE . 17.3 t -36.35 -74.39 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.557 1.16 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -98.41 -40.45 8.28 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.13 . . . . 0.0 110.316 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -44.16 -64.04 0.75 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.336 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.6 mp -94.53 -84.24 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 162.17 99.34 0.14 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.793 ' HB3' ' HD1' ' A' ' 28' ' ' PHE . . . -155.26 88.17 1.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 0.764 . . . . 0.0 109.29 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -129.79 15.06 5.88 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.605 ' HB3' HD23 ' A' ' 37' ' ' LEU . 5.0 m -117.8 -69.36 0.86 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.988 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.605 HD23 ' HB3' ' A' ' 36' ' ' SER . 0.1 OUTLIER -101.15 27.41 6.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.105 . . . . 0.0 109.314 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.499 ' O ' ' CB ' ' A' ' 42' ' ' LEU . 0.2 OUTLIER -72.92 -90.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.988 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 p -58.63 -57.48 12.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 0.0 110.357 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 39' ' ' THR . 70.4 t -38.99 -87.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.479 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -38.39 -53.63 1.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.093 ' CD2' HD12 ' A' ' 46' ' ' LEU . 1.9 tt -42.23 -52.5 4.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.537 1.148 . . . . 0.0 109.37 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.018 HG22 HG23 ' A' ' 54' ' ' ILE . 39.0 t -44.47 -69.1 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -45.08 -49.04 11.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.023 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.871 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -58.75 -69.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.135 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.093 HD12 ' CD2' ' A' ' 42' ' ' LEU . 49.9 mt -51.18 -22.16 2.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.9 OUTLIER -79.48 -50.0 11.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.331 179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.08 -34.75 72.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.439 ' OE2' ' NH2' ' A' ' 6' ' ' ARG . 1.2 tp10 -61.52 -28.41 69.29 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.488 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 1.1 m-85 -152.69 -80.56 0.1 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 111.0 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.488 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 156.07 94.1 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.301 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.615 ' O ' HG23 ' A' ' 52' ' ' THR . 9.4 t -163.94 94.93 0.77 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 110.398 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -64.48 71.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.463 1.102 . . . . 0.0 110.314 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 1.018 HG23 HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -48.6 105.33 0.49 Allowed Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 109.282 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.06 144.73 30.41 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.497 1.788 . . . . 0.0 111.026 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.75 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 22.9 t0 -45.25 -39.77 6.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 109.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.8 tp10 -52.3 -41.97 63.37 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.557 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -97.52 -10.13 25.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -75.81 -25.11 56.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.654 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -76.66 -20.93 56.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.478 1.111 . . . . 0.0 110.31 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -86.73 3.34 45.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.505 ' HA ' ' CB ' ' A' ' 67' ' ' ALA . 5.1 pt -124.49 26.85 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.449 1.093 . . . . 0.0 109.328 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.654 HG23 ' O ' ' A' ' 60' ' ' GLU . 58.7 p -35.58 -44.63 0.32 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.484 1.115 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.454 ' O ' ' O ' ' A' ' 62' ' ' ILE . 21.4 p -90.49 167.97 12.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.558 1.161 . . . . 0.0 110.43 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.931 HG13 HG13 ' A' ' 11' ' ' ILE . 50.5 t -71.65 -54.27 17.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.552 1.158 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.935 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -37.19 -54.36 1.02 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 0.0 110.324 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.505 ' CB ' ' HA ' ' A' ' 62' ' ' ILE . . . -47.84 -49.64 28.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.616 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -47.2 -26.78 1.25 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.935 HD12 ' HA ' ' A' ' 66' ' ' GLN . 7.1 mt -85.87 -60.82 2.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.87 -21.52 4.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 109.303 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.423 ' N ' ' O ' ' A' ' 67' ' ' ALA . 3.9 t80 -81.16 -42.89 20.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 111.04 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.426 HD13 HG21 ' A' ' 52' ' ' THR . 5.5 mm -70.56 -25.86 27.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.496 1.123 . . . . 0.0 109.344 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.3 m-80 -87.48 -31.22 20.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.291 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.54 13.46 55.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -105.67 -63.58 1.23 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.57 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 89.7 mm-40 -43.62 126.58 4.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.516 1.135 . . . . 0.0 110.292 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 109.289 179.975 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 53.4 m . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.463 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 61.7 p -90.97 40.06 1.01 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 110.392 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.997 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -115.72 -52.04 4.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.518 1.136 . . . . 0.0 109.294 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.482 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 3.3 pt-20 -68.1 -36.56 79.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.463 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 5.7 pt-20 -74.51 -21.85 59.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.502 1.126 . . . . 0.0 110.32 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -93.01 -33.66 14.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.164 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.997 HG23 ' O ' ' A' ' 3' ' ' ILE . 25.3 t -46.92 -45.43 7.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 0.0 109.314 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.602 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -46.92 -41.33 15.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.453 ' O ' ' N ' ' A' ' 13' ' ' GLN . 12.6 tttt -64.58 -53.16 52.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.822 HG23 ' CB ' ' A' ' 45' ' ' ALA . 45.9 mt -47.5 -50.51 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 0.0 109.329 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.816 HG13 HG13 ' A' ' 65' ' ' VAL . 2.9 mm -72.86 -31.9 38.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.649 ' HA2' HG21 ' A' ' 22' ' ' VAL . . . -68.64 -25.19 75.17 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.5 mm-40 -103.67 -59.56 1.7 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 110.257 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' OE1' ' HA ' ' A' ' 14' ' ' GLN . 13.3 mm100 -41.79 -64.72 0.53 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.147 . . . . 0.0 110.285 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.784 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.0 OUTLIER -64.59 -28.49 69.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.257 -179.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.29 72.71 1.27 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.49 HG12 ' H ' ' A' ' 18' ' ' LYS . 2.2 t -137.69 171.08 16.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.485 0.756 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.49 ' H ' HG12 ' A' ' 17' ' ' VAL . 0.0 OUTLIER -76.94 175.04 9.9 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -100.9 51.39 0.86 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 110.271 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -147.3 -50.76 0.19 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.325 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.699 ' O ' HG23 ' A' ' 23' ' ' THR . 3.7 mm-40 -74.48 -29.14 61.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 110.275 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.649 HG21 ' HA2' ' A' ' 12' ' ' GLY . 30.3 t -68.35 80.58 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.699 HG23 ' O ' ' A' ' 21' ' ' GLU . 34.9 p -93.26 -159.38 0.68 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.1 p30 -92.97 -45.02 8.13 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.444 1.09 . . . . 0.0 109.258 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -97.68 49.58 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.306 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -109.54 121.8 46.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 2.3 m -99.74 75.73 1.93 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.142 . . . . 0.0 109.971 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.602 ' CD1' ' HB2' ' A' ' 34' ' ' ALA . 1.2 p90 -37.8 -38.13 0.27 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.639 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -40.08 -79.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.639 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -78.62 -56.79 4.15 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 110.303 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -40.07 -69.84 0.12 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.54 1.15 . . . . 0.0 109.339 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.8 mt -94.09 -112.02 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.299 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -172.09 87.89 0.08 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.505 1.128 . . . . 0.0 111.021 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.602 ' HB2' ' CD1' ' A' ' 28' ' ' PHE . . . -83.43 50.23 1.73 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 0.76 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -110.99 43.34 1.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 109.282 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.424 ' C ' ' N ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER 178.37 118.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.022 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.584 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER 43.04 28.15 0.13 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.685 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -63.07 -83.53 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.99 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.7 OUTLIER -78.21 -48.96 14.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 0.0 110.41 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 55.1 t -40.6 -71.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 109.263 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.467 ' HB2' ' CB ' ' A' ' 37' ' ' LEU . 0.7 OUTLIER -52.14 -54.28 32.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.273 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.948 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -38.99 -45.36 1.2 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.429 1.081 . . . . 0.0 109.333 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.99 HG23 ' O ' ' A' ' 39' ' ' THR . 20.5 t -47.45 -64.78 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 19.3 mmt -45.33 -55.44 5.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 111.031 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.822 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.12 -67.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.325 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.948 HD12 ' CD2' ' A' ' 42' ' ' LEU . 35.3 mt -50.02 -23.12 1.86 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.327 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.487 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -79.06 -52.92 7.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 110.303 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.68 -35.61 74.81 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.4 tp10 -52.51 -20.53 2.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -169.63 -84.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 111.031 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 170.89 94.44 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 0.0 109.318 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.695 ' O ' HG23 ' A' ' 52' ' ' THR . 13.3 t -167.82 88.62 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.363 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.409 ' N ' ' OE1' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -63.3 76.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.29 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.658 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.3 OUTLIER -57.63 109.68 1.95 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.658 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.02 144.71 30.51 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.467 1.772 . . . . 0.0 111.0 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.603 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.6 p-10 -53.86 -45.87 71.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -49.45 -33.61 14.59 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.17 -18.17 19.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.142 . . . . 0.0 110.26 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.948 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -82.86 -57.41 3.32 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 109.314 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.8 tt0 -39.28 -26.99 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.314 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 59' ' ' ALA . 0.0 OUTLIER -86.76 40.34 0.89 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 109.331 179.979 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.948 HG23 ' O ' ' A' ' 59' ' ' ALA . 7.2 pt -125.79 -55.82 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.651 ' O ' HG23 ' A' ' 64' ' ' THR . 11.4 p 49.72 18.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 110.431 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.651 HG23 ' O ' ' A' ' 63' ' ' THR . 12.0 p -159.84 174.82 13.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.414 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.816 HG13 HG13 ' A' ' 11' ' ' ILE . 23.3 t -87.11 -46.82 16.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.492 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.7 tt0 -47.01 -52.91 13.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 0.0 110.269 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.739 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -43.07 -29.99 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.254 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.556 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -78.45 -44.33 24.95 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.903 HG13 HG11 ' A' ' 7' ' ' VAL . 87.7 mt -68.15 -51.7 45.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -61.33 -20.6 63.13 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.28 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.565 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.6 t80 -81.94 -48.3 11.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.982 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.741 HG21 HD11 ' A' ' 3' ' ' ILE . 16.0 mm -62.34 -23.76 33.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -88.57 -32.08 18.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.316 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -87.42 16.01 51.36 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.51 1.131 . . . . 0.0 110.964 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.68 -56.72 2.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 0.786 . . . . 0.0 109.568 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -113.38 123.66 50.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 109.337 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.3 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.416 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 1.2 p -85.39 12.4 8.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.113 . . . . 0.0 110.419 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.669 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -98.97 -52.22 9.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.488 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 18.8 pt-20 -54.99 -49.45 71.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.279 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.469 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 4.3 pt-20 -49.28 -36.4 20.57 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.112 . . . . 0.0 110.301 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 45.4 mtp180 -85.0 -29.26 25.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.749 HG11 HG13 ' A' ' 69' ' ' ILE . 36.4 t -58.18 -38.45 68.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.293 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.1 OUTLIER -52.39 -37.93 57.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 13' ' ' GLN . 17.5 mttt -61.43 -51.58 68.11 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 109.341 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.882 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -48.1 -52.18 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.763 HG13 HG13 ' A' ' 65' ' ' VAL . 41.6 mm -71.81 -28.72 31.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 0.0 109.269 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -71.46 -25.37 75.44 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.49 1.119 . . . . 0.0 111.007 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.445 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.7 mm-40 -104.08 -56.9 2.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 0.77 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.414 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 38.5 mm-40 -42.9 -64.53 0.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 110.26 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.591 ' CD1' ' CB ' ' A' ' 28' ' ' PHE . 6.8 mt -57.4 -74.63 0.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.94 49.54 0.1 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.022 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.9 m -128.84 -173.6 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.43 175.59 10.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.296 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.444 ' NE2' ' O ' ' A' ' 19' ' ' GLN . 2.6 tm0? -101.05 -35.38 9.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.285 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -73.36 -33.81 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.286 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.418 ' O ' HG23 ' A' ' 23' ' ' THR . 1.3 mt-10 -76.46 -45.85 29.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 110.321 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -68.39 130.79 33.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.418 HG23 ' O ' ' A' ' 21' ' ' GLU . 72.4 p -137.86 164.93 27.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.416 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.414 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 10.6 p-10 -78.75 73.06 5.3 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.257 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 175.73 -35.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.304 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -54.31 164.54 0.66 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.138 . . . . 0.0 109.262 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.523 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.3 OUTLIER -125.97 76.01 1.55 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 110.017 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.591 ' CB ' ' CD1' ' A' ' 15' ' ' LEU . 4.4 p90 -38.52 -36.21 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 111.018 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.735 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.86 -87.5 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.439 1.087 . . . . 0.0 109.324 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.528 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.8 OUTLIER -95.48 -39.56 9.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.318 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.523 ' CB ' ' O ' ' A' ' 27' ' ' SER . 4.7 t70 -39.25 -58.04 1.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.283 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 mp -103.63 -76.87 0.58 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.095 . . . . 0.0 109.291 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 158.94 100.19 0.16 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.553 1.158 . . . . 0.0 110.992 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -150.44 85.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 0.764 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -124.08 26.85 7.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 14.9 t -138.81 -80.18 0.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.551 1.157 . . . . 0.0 109.973 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.601 HD22 ' OE2' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.19 32.6 1.15 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.506 1.128 . . . . 0.0 109.302 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.474 ' HA ' HD22 ' A' ' 15' ' ' LEU . 13.6 t0 -70.61 -69.8 0.34 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.07 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.0 OUTLIER -87.93 -61.67 1.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.475 1.109 . . . . 0.0 110.412 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.529 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.8 t -29.16 -52.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.601 ' OE2' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -71.92 -61.81 1.65 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.461 1.101 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.007 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.85 -40.83 1.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.977 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.07 HG23 ' O ' ' A' ' 39' ' ' THR . 21.6 t -49.01 -65.87 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.4 mtp -46.04 -52.71 11.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.882 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -56.6 -63.38 1.22 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.287 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.007 HD12 ' CD2' ' A' ' 42' ' ' LEU . 21.3 mt -54.37 -20.3 7.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.447 1.092 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mm-40 -83.0 -51.54 7.48 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -34.52 78.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 8.9 tm-20 -41.48 -61.44 1.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.341 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.429 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.4 OUTLIER -130.86 -68.26 0.69 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.985 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.429 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 1.5 m-20 161.66 90.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 109.282 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.412 HG23 ' OH ' ' A' ' 71' ' ' TYR . 2.2 t -177.71 115.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.436 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.441 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.1 OUTLIER -80.01 105.85 11.6 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.476 1.11 . . . . 0.0 110.294 179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.995 ' CG2' HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -51.8 112.45 3.21 Favored Pre-proline 0 C--N 1.326 -0.429 0 O-C-N 124.503 1.127 . . . . 0.0 109.349 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.417 ' N ' HD13 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.94 144.58 30.63 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.491 1.785 . . . . 0.0 111.03 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 58' ' ' GLU . 27.9 t0 -46.55 -61.53 1.78 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 0.9 OUTLIER -40.17 -28.32 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.148 . . . . 0.0 110.297 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.45 ' O ' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -94.56 -48.83 5.93 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.292 179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.68 ' HB1' ' OG1' ' A' ' 39' ' ' THR . . . -40.51 -38.39 0.84 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.564 1.165 . . . . 0.0 109.367 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -81.93 -39.75 23.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.325 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 58' ' ' GLU . 2.0 mttm -69.19 -8.74 48.46 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.324 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.479 HG22 ' HB1' ' A' ' 67' ' ' ALA . 24.0 pt -111.33 28.31 2.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.735 ' OG1' HG21 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -37.44 -30.23 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.13 . . . . 0.0 110.393 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.3 p -108.15 168.01 9.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.763 HG13 HG13 ' A' ' 11' ' ' ILE . 47.4 t -72.21 -45.45 61.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.541 1.151 . . . . 0.0 109.253 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.441 ' C ' ' O ' ' A' ' 65' ' ' VAL . 9.9 tp60 -35.87 -54.03 0.74 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.479 ' HB1' HG22 ' A' ' 62' ' ' ILE . . . -55.92 -52.54 63.76 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.486 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -38.77 -30.77 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.749 HG13 HG11 ' A' ' 7' ' ' VAL . 2.8 mp -83.71 -52.91 12.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 109.292 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.409 ' N ' ' O ' ' A' ' 67' ' ' ALA . 30.1 t70 -55.81 -18.94 9.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.431 ' CE2' HD13 ' A' ' 46' ' ' LEU . 0.5 OUTLIER -87.19 -53.14 5.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.987 179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.682 HG13 HD22 ' A' ' 46' ' ' LEU . 3.9 mm -58.42 -39.15 73.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -75.79 -30.68 59.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.41 11.66 60.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.511 1.132 . . . . 0.0 110.986 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 4.1 t-160 -156.2 50.75 0.52 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.542 0.789 . . . . 0.0 109.622 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 3.3 pt20 -131.91 158.7 40.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.152 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.302 -179.976 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.417 HG22 ' OE2' ' A' ' 5' ' ' GLU . 1.8 p -86.69 43.46 1.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.384 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.756 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -116.77 -52.25 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.516 ' HB3' HG21 ' A' ' 69' ' ' ILE . 17.9 pt-20 -67.27 -19.5 65.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.257 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.417 ' OE2' HG22 ' A' ' 2' ' ' THR . 9.8 pt-20 -67.77 -25.59 65.68 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.13 . . . . 0.0 110.356 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.455 HH21 ' HG3' ' A' ' 49' ' ' GLU . 8.2 mtp85 -102.34 -29.35 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.964 HG11 HG13 ' A' ' 69' ' ' ILE . 77.4 t -55.25 -46.6 78.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.301 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.521 ' CG ' HG12 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.51 -43.67 45.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.279 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -62.52 -55.7 24.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.888 HD13 HD23 ' A' ' 46' ' ' LEU . 47.4 mt -44.56 -51.49 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.798 HG13 HG13 ' A' ' 65' ' ' VAL . 16.3 mm -72.27 -30.6 36.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.101 . . . . 0.0 109.266 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -67.98 -20.26 72.53 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.522 1.139 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -112.51 -60.88 1.81 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 0.742 . . . . 0.0 110.316 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.459 ' O ' HD12 ' A' ' 37' ' ' LEU . 33.9 mm-40 -37.84 -69.32 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.095 . . . . 0.0 110.261 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.998 HD22 ' HA ' ' A' ' 38' ' ' ASP . 3.4 mt -57.47 -46.28 83.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 109.279 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.509 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 103.64 90.38 2.15 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.505 1.128 . . . . 0.0 110.993 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 28' ' ' PHE . 29.5 m -156.46 -169.69 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.467 0.745 . . . . 0.0 109.313 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.08 -178.61 6.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 109.31 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -114.54 34.27 4.85 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 110.313 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -141.49 -48.24 0.39 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.628 ' O ' HG23 ' A' ' 23' ' ' THR . 1.0 OUTLIER -69.12 -7.67 38.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.287 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.754 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 2.9 t -73.18 79.38 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.45 1.094 . . . . 0.0 109.274 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.784 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 12.0 p -83.88 -139.27 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.523 1.139 . . . . 0.0 110.407 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 24' ' ' ASN . 0.5 OUTLIER -121.22 -63.42 1.33 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 109.261 -179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.5 t30 -67.08 -11.23 56.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.784 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -53.31 106.05 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 2.2 m -83.35 80.2 9.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.556 1.16 . . . . 0.0 109.998 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.818 ' CD2' HD12 ' A' ' 15' ' ' LEU . 7.2 m-85 -39.54 -42.4 1.14 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 0.0 111.017 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.939 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.2 OUTLIER -39.98 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.466 1.103 . . . . 0.0 109.314 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.652 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.9 tm-20 -75.17 -51.67 12.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 27' ' ' SER . 7.0 t70 -40.87 -60.86 1.07 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.548 HD12 ' HA ' ' A' ' 28' ' ' PHE . 2.3 mt -99.59 -102.06 0.23 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 176.48 92.18 0.08 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.619 ' HB1' ' CB ' ' A' ' 38' ' ' ASP . . . -86.08 50.11 1.92 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.439 0.729 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -110.57 36.61 3.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.093 . . . . 0.0 109.296 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.5 OUTLIER -175.64 117.29 0.15 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.51 HD23 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER 39.19 42.27 0.73 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.998 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.2 OUTLIER -77.3 -89.54 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.978 ' O ' HG23 ' A' ' 43' ' ' VAL . 70.5 p -67.7 -52.61 35.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.499 1.125 . . . . 0.0 110.451 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 ' C ' ' O ' ' A' ' 39' ' ' THR . 60.9 t -38.26 -79.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.451 1.094 . . . . 0.0 109.281 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.62 -52.75 7.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.121 . . . . 0.0 110.315 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.778 HD21 HD12 ' A' ' 46' ' ' LEU . 1.2 tt -43.17 -42.19 4.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 39' ' ' THR . 12.7 t -54.23 -62.52 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.308 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.404 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 25.2 mmt -47.99 -54.75 11.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.533 1.146 . . . . 0.0 111.002 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.872 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.57 -65.64 0.56 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.888 HD23 HD13 ' A' ' 10' ' ' ILE . 12.0 mt -53.92 -20.61 6.32 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.508 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -80.61 -50.53 9.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 110.273 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.16 -34.33 56.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.548 1.155 . . . . 0.0 110.259 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.775 ' OE1' HD11 ' A' ' 10' ' ' ILE . 0.0 OUTLIER -75.62 -75.29 0.18 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CD2' HG23 ' A' ' 72' ' ' ILE . 0.3 OUTLIER -85.05 -51.62 6.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.527 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.1 t70 84.29 76.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.414 ' C ' ' CG ' ' A' ' 53' ' ' GLU . 0.5 OUTLIER -135.58 9.86 3.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 110.408 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.414 ' CG ' ' C ' ' A' ' 52' ' ' THR . 1.5 pt-20 39.18 75.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.859 HG13 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -64.46 111.89 6.59 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.791 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.1 Cg_endo -75.03 144.59 30.33 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.452 1.764 . . . . 0.0 110.978 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.53 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.3 t70 -54.18 -34.27 60.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -55.42 -32.08 62.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 110.314 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -109.47 -6.05 15.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 1.108 . . . . 0.0 110.317 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.859 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -106.39 4.4 28.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.426 ' N ' ' O ' ' A' ' 56' ' ' ASP . 24.6 tt0 -102.05 -35.45 8.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 110.25 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.81 1.86 25.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.307 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.766 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.5 pt -78.6 -55.62 9.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.939 ' HB ' HG21 ' A' ' 29' ' ' VAL . 8.3 p 46.99 22.15 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.163 . . . . 0.0 110.425 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.53 ' CG2' ' O ' ' A' ' 63' ' ' THR . 30.7 p -158.04 172.64 18.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.506 1.129 . . . . 0.0 110.402 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG13 ' A' ' 11' ' ' ILE . 21.6 t -89.51 -35.78 7.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.324 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.524 ' HA ' HD12 ' A' ' 69' ' ' ILE . 15.7 tp60 -58.14 -53.31 59.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.766 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -39.92 -54.86 2.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -46.11 -44.6 15.81 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.553 1.158 . . . . 0.0 109.319 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.964 HG13 HG11 ' A' ' 7' ' ' VAL . 5.4 mt -69.22 -61.14 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.82 -26.31 0.65 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.269 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.416 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 3.0 t80 -83.44 -47.7 11.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 111.03 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.651 HG21 HD11 ' A' ' 3' ' ' ILE . 17.6 mm -58.09 -23.35 21.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -88.72 -51.39 5.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -48.53 -26.03 4.95 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -68.87 -66.63 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.476 0.751 . . . . 0.0 109.593 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -110.27 81.01 1.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 179.986 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 25.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.617 ' OG1' ' CD ' ' A' ' 6' ' ' ARG . 10.6 t -82.63 49.58 1.5 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.885 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.1 OUTLIER -108.98 -52.67 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.966 ' HB2' HD13 ' A' ' 69' ' ' ILE . 10.1 pt-20 -77.48 -46.36 22.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.496 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.3 pt-20 -62.74 -21.57 65.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.286 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.617 ' CD ' ' OG1' ' A' ' 2' ' ' THR . 48.9 mtp180 -99.51 -20.45 16.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.158 . . . . 0.0 110.282 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.885 HG23 ' O ' ' A' ' 3' ' ' ILE . 1.8 t -62.32 -40.72 88.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.104 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.551 ' HA ' HG11 ' A' ' 65' ' ' VAL . 0.4 OUTLIER -53.94 -32.36 53.42 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.322 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.432 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER -60.35 -55.32 35.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.27 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.964 HD13 HD23 ' A' ' 46' ' ' LEU . 11.9 mt -44.94 -53.98 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.836 HD11 HD12 ' A' ' 42' ' ' LEU . 20.8 mm -71.03 -25.8 26.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.67 -25.24 72.67 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.523 1.14 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.432 ' N ' ' O ' ' A' ' 9' ' ' LYS . 2.6 mm-40 -105.33 -57.71 1.99 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 0.769 . . . . 0.0 110.314 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.491 ' CG ' ' HB2' ' A' ' 45' ' ' ALA . 13.2 mm100 -42.47 -64.87 0.54 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.245 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD13 ' CB ' ' A' ' 34' ' ' ALA . 2.1 mt -55.76 -65.22 0.63 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 124.94 60.72 0.17 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.401 HG11 HD22 ' A' ' 32' ' ' LEU . 2.0 t -137.27 167.47 23.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 0.777 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.33 175.0 5.76 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -94.23 14.26 20.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.305 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -114.34 -35.99 4.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.341 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.9 mm-40 -79.37 -15.91 57.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.334 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG21 ' HA2' ' A' ' 12' ' ' GLY . 14.4 t -92.09 130.88 40.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 67.0 p -149.3 174.5 12.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 110.411 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.408 ' O ' ' CB ' ' A' ' 25' ' ' ASN . 7.8 p-10 -89.08 75.33 7.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.408 ' CB ' ' O ' ' A' ' 24' ' ' ASN . 2.4 p-10 162.55 -28.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -61.76 148.25 43.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 31' ' ' ASP . 0.7 OUTLIER -116.26 80.03 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.082 . . . . 0.0 110.03 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.537 ' HA ' HD12 ' A' ' 32' ' ' LEU . 6.9 p90 -40.31 -35.99 0.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.566 1.166 . . . . 0.0 111.053 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.719 HG21 ' OG1' ' A' ' 63' ' ' THR . 0.0 OUTLIER -38.83 -82.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 0.0 109.261 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.596 ' H ' HG23 ' A' ' 29' ' ' VAL . 12.2 tm-20 -93.62 -42.01 9.42 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.274 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' CB ' ' O ' ' A' ' 27' ' ' SER . 31.1 t0 -40.26 -61.57 0.88 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.537 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.6 mt -98.73 -84.77 0.39 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 164.4 98.81 0.13 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.664 ' CB ' HD13 ' A' ' 15' ' ' LEU . . . -156.61 89.28 1.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 109.332 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -123.22 31.67 5.91 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.545 1.153 . . . . 0.0 109.244 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 16.1 t -144.4 -72.66 0.27 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.005 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.43 29.51 1.69 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' HA ' HD22 ' A' ' 15' ' ' LEU . 2.2 t0 -72.43 -83.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.032 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -76.81 -54.64 6.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.11 . . . . 0.0 110.426 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 39' ' ' THR . 27.4 t -36.78 -67.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.439 ' OE1' ' CA ' ' A' ' 14' ' ' GLN . 0.0 OUTLIER -56.75 -55.95 27.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.536 1.147 . . . . 0.0 110.26 -179.947 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.929 HD21 HD12 ' A' ' 46' ' ' LEU . 0.8 OUTLIER -39.47 -46.47 1.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.032 HG23 ' O ' ' A' ' 39' ' ' THR . 21.5 t -47.69 -61.78 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.087 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.41 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 6.9 mtt -46.35 -55.94 6.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.841 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.87 -65.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.964 HD23 HD13 ' A' ' 10' ' ' ILE . 36.4 mt -54.05 -20.12 5.93 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.545 ' N ' ' O ' ' A' ' 43' ' ' VAL . 1.0 OUTLIER -81.83 -50.17 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.295 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.47 -34.39 64.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 110.269 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.17 -72.9 0.18 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.326 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.558 ' CE2' HG23 ' A' ' 72' ' ' ILE . 3.8 m-30 -94.31 -48.18 6.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.018 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.536 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.2 t70 85.18 82.22 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.715 HG23 ' OH ' ' A' ' 71' ' ' TYR . 0.8 OUTLIER -141.15 13.23 2.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.41 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.436 ' C ' ' O ' ' A' ' 52' ' ' THR . 3.3 pt-20 35.3 90.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 0.0 110.288 179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.855 HD12 ' HD2' ' A' ' 55' ' ' PRO . 0.7 OUTLIER -79.05 113.63 37.48 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.524 1.14 . . . . 0.0 109.323 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.855 ' HD2' HD12 ' A' ' 54' ' ' ILE . 18.5 Cg_endo -74.95 145.52 31.73 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.489 1.784 . . . . 0.0 111.025 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' A' ' 60' ' ' GLU . 6.0 p-10 -55.84 -48.81 74.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.364 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -46.15 -26.52 0.78 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.507 1.129 . . . . 0.0 110.311 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -105.71 -22.54 12.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.119 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.739 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -95.18 12.04 30.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.459 ' N ' ' O ' ' A' ' 56' ' ' ASP . 0.9 OUTLIER -100.8 -21.54 15.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 0.0 110.296 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -86.89 -16.74 35.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.729 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.3 pt -76.97 -56.4 8.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.486 1.116 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.719 ' OG1' HG21 ' A' ' 29' ' ' VAL . 1.6 t 43.79 24.56 0.07 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 63' ' ' THR . 31.7 p -157.82 177.65 11.12 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.49 1.119 . . . . 0.0 110.354 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.808 HG22 HG21 ' A' ' 11' ' ' ILE . 11.7 t -87.06 -51.4 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.638 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.5 tt0 -45.49 -53.2 9.22 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.729 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -52.61 -35.06 53.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -64.47 -11.97 39.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.573 1.17 . . . . 0.0 109.314 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.966 HD13 ' HB2' ' A' ' 4' ' ' GLU . 30.4 mt -97.05 -47.55 12.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -60.28 -21.81 62.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.715 ' OH ' HG23 ' A' ' 52' ' ' THR . 0.0 OUTLIER -83.46 -50.43 8.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 111.026 179.953 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.701 HG21 HD11 ' A' ' 3' ' ' ILE . 2.2 mm -60.07 -27.12 38.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.3 m-80 -82.78 -36.15 25.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.62 -16.16 28.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.508 1.13 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 51.9 m80 -122.16 53.75 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 0.768 . . . . 0.0 109.631 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.7 tp-100 -142.81 70.87 1.33 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 8.7 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.972 -0.381 . . . . 0.0 109.972 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.41 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 1.3 p -80.55 5.7 14.59 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.488 1.117 . . . . 0.0 110.452 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.748 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.0 OUTLIER -91.41 -51.55 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.252 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.784 ' HB2' HG21 ' A' ' 69' ' ' ILE . 1.2 tm-20 -54.69 -57.48 11.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.41 ' CD ' ' HA ' ' A' ' 2' ' ' THR . 3.1 pt-20 -43.41 -30.79 0.58 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 110.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 49.3 mtp85 -90.83 -33.84 15.52 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 3' ' ' ILE . 53.9 t -56.16 -41.87 70.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 109.304 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' N ' ' A' ' 12' ' ' GLY . 3.2 mmtp -53.66 -33.44 55.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.278 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -62.14 -49.9 74.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 0.0 109.327 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.553 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.3 mt -53.64 -61.68 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.323 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.591 HG21 HG22 ' A' ' 65' ' ' VAL . 23.6 mm -63.12 -23.61 33.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -81.64 -17.55 70.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.536 1.147 . . . . 0.0 111.023 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.458 ' N ' ' O ' ' A' ' 9' ' ' LYS . 5.0 mm100 -112.78 -64.64 1.27 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.522 0.778 . . . . 0.0 110.317 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.51 ' OE1' ' CG ' ' A' ' 41' ' ' GLU . 6.7 mm-40 -36.96 -64.57 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.314 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.843 HD13 ' HB2' ' A' ' 34' ' ' ALA . 1.6 mt -55.49 -70.24 0.11 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 131.47 62.33 0.09 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.509 1.131 . . . . 0.0 110.989 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 6.2 m -143.59 -175.76 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.408 ' N ' ' HD3' ' A' ' 18' ' ' LYS . 1.3 mppt? -86.74 179.19 6.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -104.6 43.21 1.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.475 1.109 . . . . 0.0 110.329 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -142.81 -50.63 0.36 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.462 1.101 . . . . 0.0 110.308 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.495 ' O ' HG23 ' A' ' 23' ' ' THR . 6.8 mm-40 -59.35 -38.33 80.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.289 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.513 HG13 HG21 ' A' ' 65' ' ' VAL . 89.9 t -65.59 118.55 8.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.677 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 43.3 p -123.77 176.04 6.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.386 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 3.1 p30 -72.81 -38.61 67.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 -100.02 51.25 0.91 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.421 1.075 . . . . 0.0 109.297 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -140.68 107.69 5.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.455 ' O ' ' C ' ' A' ' 28' ' ' PHE . 0.8 OUTLIER -80.2 74.15 7.02 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 109.973 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.654 ' CD2' HD11 ' A' ' 15' ' ' LEU . 20.8 p90 -33.06 -38.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 111.004 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.431 ' N ' ' O ' ' A' ' 27' ' ' SER . 20.8 t -39.43 -63.47 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.448 ' O ' ' C ' ' A' ' 31' ' ' ASP . 2.6 tm-20 -104.81 -51.12 3.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.34 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.9 OUTLIER -37.04 -69.4 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.555 1.16 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.577 ' CD2' ' N ' ' A' ' 32' ' ' LEU . 0.3 OUTLIER -80.88 -107.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -162.95 83.62 0.11 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.843 ' HB2' HD13 ' A' ' 15' ' ' LEU . . . -141.42 82.2 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.95 40.85 3.45 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.83 -78.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.021 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.474 ' HB3' ' CG ' ' A' ' 41' ' ' GLU . 0.2 OUTLIER -92.36 33.08 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.14 . . . . 0.0 109.299 179.954 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.602 ' CB ' ' HB1' ' A' ' 34' ' ' ALA . 7.3 p-10 -78.24 -50.93 10.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.027 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -101.83 -58.94 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 -179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.45 HG12 ' OE1' ' A' ' 41' ' ' GLU . 13.2 t -36.75 -59.61 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.51 ' CG ' ' OE1' ' A' ' 14' ' ' GLN . 0.8 OUTLIER -62.78 -58.43 7.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.023 ' CD2' HD12 ' A' ' 46' ' ' LEU . 0.7 OUTLIER -39.8 -43.7 1.48 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.546 1.153 . . . . 0.0 109.277 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.027 HG23 ' O ' ' A' ' 39' ' ' THR . 33.3 t -50.54 -66.72 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.56 1.163 . . . . 0.0 109.272 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 1.3 mtt -43.56 -53.86 5.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.414 1.071 . . . . 0.0 110.974 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.553 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.95 -71.84 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.128 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.023 HD12 ' CD2' ' A' ' 42' ' ' LEU . 45.3 mt -47.42 -24.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.481 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.7 OUTLIER -76.14 -52.4 10.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.263 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.26 -35.84 81.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.103 . . . . 0.0 110.304 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -55.3 -28.9 56.7 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.253 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -156.22 -82.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 163.58 92.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.699 ' O ' HG23 ' A' ' 52' ' ' THR . 15.2 t -164.68 90.61 0.54 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 110.422 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 2.8 pt-20 -65.19 73.53 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.905 HG23 HG22 ' A' ' 43' ' ' VAL . 0.4 OUTLIER -50.33 106.5 0.65 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.569 1.168 . . . . 0.0 109.288 179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.507 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.3 Cg_endo -75.03 161.62 38.39 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.517 1.799 . . . . 0.0 111.005 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.581 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 0.1 OUTLIER -56.82 -53.08 61.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.125 . . . . 0.0 109.278 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLU . 7.2 pt-20 -44.29 -35.19 2.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.132 . . . . 0.0 110.335 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.52 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.5 OUTLIER -95.86 -22.25 17.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.275 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.581 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.14 -10.69 52.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -85.98 -36.03 20.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 0.0 110.282 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.03 -13.44 61.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.098 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.549 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 5.5 pt -101.44 21.51 2.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.463 ' C ' ' O ' ' A' ' 62' ' ' ILE . 0.0 OUTLIER -33.69 -36.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.44 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.478 ' N ' ' O ' ' A' ' 62' ' ' ILE . 16.6 p -108.1 166.27 10.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.502 1.126 . . . . 0.0 110.382 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.591 HG22 HG21 ' A' ' 11' ' ' ILE . 42.7 t -69.61 -45.62 77.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.552 1.158 . . . . 0.0 109.33 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 19.0 tp60 -38.32 -54.11 1.45 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.549 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -53.22 -51.52 61.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.533 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -40.11 -29.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.784 HG21 ' HB2' ' A' ' 4' ' ' GLU . 29.1 mt -83.7 -67.47 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 109.311 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -46.8 -25.03 0.67 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.493 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 4.9 t80 -77.17 -44.72 29.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 1.125 . . . . 0.0 110.998 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.654 HG21 HD11 ' A' ' 3' ' ' ILE . 5.3 mm -67.79 -26.51 35.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.635 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 7.9 m-80 -80.49 -36.99 32.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 109.345 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.87 -19.8 23.39 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.536 1.148 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -94.72 -62.3 1.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.547 0.793 . . . . 0.0 109.579 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -99.17 84.67 3.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 110.283 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.635 ' HB2' ' O ' ' A' ' 73' ' ' ASN . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.476 1.11 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.409 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 1.0 OUTLIER -84.38 10.56 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.441 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.61 HD11 HG21 ' A' ' 72' ' ' ILE . 0.0 OUTLIER -98.84 -51.78 9.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.299 -179.97 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.487 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 25.2 pt-20 -54.73 -48.65 72.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 110.344 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.439 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -50.57 -38.2 43.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.307 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.4 mtp85 -82.1 -31.41 30.71 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.912 HG11 HG13 ' A' ' 69' ' ' ILE . 17.8 t -56.67 -36.55 49.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 0.0 109.326 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -54.85 -32.42 60.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 1.136 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -66.44 -51.88 52.23 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.877 HG23 ' CB ' ' A' ' 45' ' ' ALA . 78.9 mt -49.9 -54.33 7.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.986 HG13 HG13 ' A' ' 65' ' ' VAL . 11.5 mm -70.46 -30.0 41.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -64.67 -25.25 70.24 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.012 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.53 -60.77 1.77 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 0.765 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.741 ' O ' HD12 ' A' ' 37' ' ' LEU . 20.0 mm-40 -40.53 -77.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.858 ' HG ' HG23 ' A' ' 11' ' ' ILE . 5.3 mt -45.82 -54.44 8.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.401 ' C ' HG13 ' A' ' 17' ' ' VAL . . . 111.12 79.97 1.06 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.496 1.123 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.423 HG11 ' CE2' ' A' ' 28' ' ' PHE . 29.2 m -151.22 -168.51 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.469 0.746 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -84.46 -177.63 6.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.3 pm0 -120.08 63.13 0.83 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.295 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -176.62 -49.16 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 1.125 . . . . 0.0 110.274 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.9 -8.84 52.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.407 ' CG1' ' HG3' ' A' ' 8' ' ' LYS . 3.2 t -73.48 135.84 26.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.121 . . . . 0.0 109.269 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.969 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 65.8 p -128.59 -174.23 3.18 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 110.378 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.7 p-10 -91.45 -49.4 6.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 66.5 m-20 -90.93 48.9 1.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 109.309 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.969 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -111.22 101.36 9.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.72 ' HA ' HG22 ' A' ' 64' ' ' THR . 71.9 m -75.3 70.6 2.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.555 1.16 . . . . 0.0 110.005 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.674 ' CD2' HD12 ' A' ' 15' ' ' LEU . 5.4 m-85 -33.48 -49.35 0.29 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.614 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -35.66 -65.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.324 -179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.426 ' O ' ' C ' ' A' ' 31' ' ' ASP . 0.9 OUTLIER -88.86 -60.29 2.0 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.101 . . . . 0.0 110.268 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 1.5 m-20 -38.36 -59.34 0.9 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.46 1.1 . . . . 0.0 109.263 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -102.99 -105.96 0.27 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.518 1.136 . . . . 0.0 109.262 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 171.19 95.68 0.1 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.961 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.67 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -81.82 51.13 1.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 0.761 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -101.64 44.4 1.01 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 37' ' ' LEU . 0.3 OUTLIER 174.61 124.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.572 1.17 . . . . 0.0 109.933 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.741 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.2 OUTLIER 38.12 43.47 0.57 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.67 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 4.0 t0 -73.39 -88.1 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.055 ' O ' HG23 ' A' ' 43' ' ' VAL . 7.9 t -71.45 -53.98 12.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.407 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.514 ' N ' HG23 ' A' ' 39' ' ' THR . 57.5 t -33.74 -65.6 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 109.288 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.401 ' C ' ' OE1' ' A' ' 14' ' ' GLN . 1.1 mp0 -60.59 -59.28 5.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.442 1.089 . . . . 0.0 110.319 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.011 ' CD2' HD12 ' A' ' 46' ' ' LEU . 4.7 tt -38.44 -47.65 1.28 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.055 HG23 ' O ' ' A' ' 39' ' ' THR . 38.2 t -47.44 -74.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 109.324 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.424 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 26.7 mmt -35.98 -57.72 0.68 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 111.039 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.877 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.06 -73.98 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.011 HD12 ' CD2' ' A' ' 42' ' ' LEU . 23.3 mt -44.98 -26.14 0.39 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.568 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -73.72 -55.61 6.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 110.259 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.51 -32.33 17.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 110.334 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -44.36 -75.32 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -135.01 34.97 3.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.994 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.5 ' N ' ' O ' ' A' ' 47' ' ' GLU . 26.7 t0 51.92 86.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.322 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.676 HG22 ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -155.72 94.19 1.54 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.401 179.984 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.479 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 0.9 OUTLIER -62.2 147.83 46.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 110.264 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.806 HG23 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -132.85 96.08 18.55 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.459 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.1 Cg_endo -74.98 145.77 31.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.529 1.805 . . . . 0.0 110.974 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.883 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 17.7 p-10 -38.64 -53.15 1.64 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.1 tp10 -37.98 -42.31 0.62 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.09 . . . . 0.0 110.296 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.507 ' C ' HD11 ' A' ' 54' ' ' ILE . 0.3 OUTLIER -98.77 -22.54 15.81 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.965 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.883 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -67.18 -26.45 66.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.283 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 63' ' ' THR . 2.6 tm-20 -70.99 -6.58 39.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.339 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -104.2 -7.05 20.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.502 ' HA ' ' HB3' ' A' ' 67' ' ' ALA . 2.8 pt -108.57 15.26 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.301 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.614 ' HB ' HG21 ' A' ' 29' ' ' VAL . 61.6 p -35.65 -34.12 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.364 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.72 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.1 p -96.39 154.62 17.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.387 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.986 HG13 HG13 ' A' ' 11' ' ' ILE . 11.8 t -67.31 -38.37 80.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.27 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.437 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.3 tt0 -53.56 -54.07 42.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.502 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -47.4 -42.55 22.24 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 109.308 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.577 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -59.4 -34.39 72.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.554 1.159 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.912 HG13 HG11 ' A' ' 7' ' ' VAL . 1.7 mt -72.45 -57.69 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.352 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -63.11 -15.25 56.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.499 ' CB ' ' O ' ' A' ' 67' ' ' ALA . 15.8 t80 -82.06 -47.23 12.86 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 3' ' ' ILE . 5.4 mm -67.81 -22.06 27.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -90.52 -31.09 16.89 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.273 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -85.26 13.5 54.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.523 1.139 . . . . 0.0 111.027 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -125.39 -63.03 1.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 0.758 . . . . 0.0 109.619 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 59.1 mm-40 64.63 -90.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.325 179.965 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.2 p -85.23 9.77 14.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.108 . . . . 0.0 110.398 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.707 ' CD1' HG21 ' A' ' 72' ' ' ILE . 0.1 OUTLIER -98.85 -52.19 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.504 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 20.3 pt-20 -53.44 -47.39 69.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.483 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 3.8 pt-20 -53.53 -35.09 60.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.323 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 29.6 mtp180 -86.7 -23.78 25.43 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 110.3 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.86 HG11 HG13 ' A' ' 69' ' ' ILE . 41.1 t -64.05 -37.9 81.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.333 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.461 ' HD2' ' CG1' ' A' ' 22' ' ' VAL . 19.1 mmtp -58.16 -28.35 64.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 mttm -72.5 -56.59 5.15 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.889 HG23 ' CB ' ' A' ' 45' ' ' ALA . 74.7 mt -49.42 -68.26 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.586 HG13 HG13 ' A' ' 65' ' ' VAL . 13.8 mm -44.81 -29.08 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -71.84 -90.23 0.11 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -37.54 -40.45 0.39 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 0.755 . . . . 0.0 110.31 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.463 ' HG3' ' CB ' ' A' ' 45' ' ' ALA . 10.0 mm100 -66.3 -86.86 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.68 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.5 mt -50.17 -60.88 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.268 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 12' ' ' GLY . . . 114.89 83.05 1.09 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.54 1.15 . . . . 0.0 111.038 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.69 HG21 ' CE2' ' A' ' 28' ' ' PHE . 1.8 t -141.09 166.57 18.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.486 0.756 . . . . 0.0 109.296 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.403 ' HD2' ' N ' ' A' ' 18' ' ' LYS . 0.0 OUTLIER -84.51 175.05 9.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.127 . . . . 0.0 109.259 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -83.93 -5.38 59.21 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pm0 -114.82 4.11 14.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' HB2' HG12 ' A' ' 17' ' ' VAL . 3.4 mt-10 -121.35 8.18 10.22 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.135 . . . . 0.0 110.245 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.562 HG22 ' HZ ' ' A' ' 28' ' ' PHE . 24.7 t -111.91 97.48 5.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 109.249 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.821 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 81.1 p -111.34 -166.2 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -99.39 -32.47 11.14 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -108.52 49.35 0.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.821 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -115.43 104.23 11.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.435 ' O ' ' C ' ' A' ' 28' ' ' PHE . 4.5 m -71.25 68.6 0.51 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.695 ' CE1' HG21 ' A' ' 65' ' ' VAL . 2.9 m-85 -34.64 -45.94 0.27 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 110.977 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.809 HG21 ' HB ' ' A' ' 63' ' ' THR . 0.0 OUTLIER -40.4 -71.22 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.572 ' H ' HG23 ' A' ' 29' ' ' VAL . 10.7 tm-20 -78.86 -63.04 1.51 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.426 ' C ' ' O ' ' A' ' 30' ' ' GLU . 0.2 OUTLIER -38.5 -60.9 0.75 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.665 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.5 mt -94.98 -111.93 0.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 176.84 83.95 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.475 1.11 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.916 ' HB1' ' CG ' ' A' ' 38' ' ' ASP . . . -86.73 50.47 2.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 0.79 . . . . 0.0 109.31 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.06 33.16 3.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.553 1.158 . . . . 0.0 109.249 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.02 117.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.992 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER 58.53 26.9 14.89 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.916 ' CG ' ' HB1' ' A' ' 34' ' ' ALA . 3.1 t0 -71.95 -88.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.117 . . . . 0.0 109.318 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.0 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.2 m -67.79 -56.25 9.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 39' ' ' THR . 66.3 t -38.22 -85.06 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.345 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.414 ' C ' ' O ' ' A' ' 40' ' ' VAL . 2.0 mt-10 -38.08 -53.1 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 110.273 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.761 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -46.51 -53.55 11.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.276 -179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.0 HG23 ' O ' ' A' ' 39' ' ' THR . 21.9 t -41.6 -74.07 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.343 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 13.3 mmt -43.15 -52.35 5.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.528 1.143 . . . . 0.0 111.057 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.889 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -54.96 -72.98 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.761 HD12 HD21 ' A' ' 42' ' ' LEU . 19.1 mt -47.5 -24.56 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.146 . . . . 0.0 109.334 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.84 -51.3 11.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -56.14 -42.32 76.75 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.493 1.121 . . . . 0.0 110.256 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.513 ' HB2' HD11 ' A' ' 10' ' ' ILE . 0.5 OUTLIER -42.58 -54.32 4.01 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.138 . . . . 0.0 110.274 -179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.509 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.9 OUTLIER -131.36 -74.45 0.53 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.987 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.509 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 0.8 OUTLIER 155.8 98.77 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.619 HG22 ' O ' ' A' ' 52' ' ' THR . 0.3 OUTLIER -177.83 100.24 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -65.5 130.82 44.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.275 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.894 ' CG1' ' HB2' ' A' ' 59' ' ' ALA . 0.2 OUTLIER -111.8 108.4 55.87 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.492 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.96 144.68 30.67 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.484 1.781 . . . . 0.0 111.016 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 60' ' ' GLU . 3.9 p-10 -51.36 -46.88 62.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -50.83 -21.4 1.66 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.43 -17.41 12.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.894 ' HB2' ' CG1' ' A' ' 54' ' ' ILE . . . -102.19 12.0 37.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.462 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.3 tt0 -102.79 -38.44 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.317 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt -73.93 -4.66 36.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.717 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 8.8 pt -71.66 -57.38 7.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.809 ' HB ' HG21 ' A' ' 29' ' ' VAL . 12.2 p 46.85 21.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.372 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.495 HG23 ' C ' ' A' ' 63' ' ' THR . 67.5 p -155.43 -176.62 6.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 110.427 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.695 HG21 ' CE1' ' A' ' 28' ' ' PHE . 88.6 t -98.58 -37.37 6.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.581 ' HA ' HD12 ' A' ' 69' ' ' ILE . 1.4 tt0 -54.21 -52.9 59.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.717 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -38.67 -59.41 0.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.325 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.57 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -44.72 -44.33 9.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.86 HG13 HG11 ' A' ' 7' ' ' VAL . 6.6 mt -67.86 -67.99 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.562 1.164 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -45.36 -26.14 0.5 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.291 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.575 ' CE2' ' HB ' ' A' ' 54' ' ' ILE . 9.2 t80 -78.03 -42.57 32.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 110.99 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.707 HG21 ' CD1' ' A' ' 3' ' ' ILE . 20.1 mm -72.15 -26.06 24.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -88.83 -30.7 18.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.334 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -84.95 8.43 70.05 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -110.83 -75.1 0.63 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 0.769 . . . . 0.0 109.599 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.3 mm-40 -42.01 103.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.282 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 72.6 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 109.983 -0.377 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.761 ' O ' HG23 ' A' ' 2' ' ' THR . 10.4 t -91.79 60.92 4.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.352 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.986 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -111.93 -51.81 5.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 109.328 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.502 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 13.8 pt-20 -90.16 -50.98 5.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.102 . . . . 0.0 110.339 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.456 ' N ' ' CG ' ' A' ' 4' ' ' GLU . 1.0 OUTLIER -47.85 -30.62 4.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.434 1.084 . . . . 0.0 110.301 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.564 ' CD ' ' OG1' ' A' ' 2' ' ' THR . 25.4 mtp85 -87.52 -39.37 15.22 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.986 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -41.53 -57.1 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.122 . . . . 0.0 109.312 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.469 ' HG3' HG12 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -40.75 -40.63 1.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.35 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.476 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -67.62 -48.25 67.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 1.01 HG23 ' HB1' ' A' ' 45' ' ' ALA . 50.0 mt -51.57 -39.47 23.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.999 HG13 HG13 ' A' ' 65' ' ' VAL . 20.4 mm -85.06 -23.74 7.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.509 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -98.66 17.14 58.78 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.451 1.094 . . . . 0.0 110.981 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.476 ' N ' ' O ' ' A' ' 9' ' ' LYS . 17.6 mm100 -135.65 -49.99 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 0.78 . . . . 0.0 110.346 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.415 ' NE2' ' HG3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -70.01 -66.1 0.64 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.683 HD12 ' CD1' ' A' ' 28' ' ' PHE . 2.3 mt -42.52 -55.94 3.27 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.454 1.097 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.598 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 118.47 77.62 0.58 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.516 1.135 . . . . 0.0 111.017 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.598 HG13 ' O ' ' A' ' 16' ' ' GLY . 18.8 m -158.33 -176.74 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 0.764 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.19 176.23 9.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.548 1.155 . . . . 0.0 109.272 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 4.4 pm0 -107.96 50.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 110.279 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -150.03 -46.22 0.13 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -70.55 -13.4 62.09 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.492 1.12 . . . . 0.0 110.291 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG12 ' HG3' ' A' ' 8' ' ' LYS . 61.5 t -88.14 106.03 16.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.1 p -110.18 -170.6 1.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.402 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 11.1 p30 -97.54 26.14 5.2 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.449 1.093 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -164.51 30.22 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 109.345 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.497 ' HB1' ' OD1' ' A' ' 31' ' ' ASP . . . -105.51 102.76 12.21 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 31' ' ' ASP . 15.9 m -64.47 76.01 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 110.012 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.683 ' CD1' HD12 ' A' ' 15' ' ' LEU . 1.3 t80 -35.83 -41.72 0.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.757 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.5 OUTLIER -39.83 -77.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.757 ' H ' HG23 ' A' ' 29' ' ' VAL . 1.1 tm-20 -91.07 -46.14 8.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 110.296 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.497 ' OD1' ' HB1' ' A' ' 26' ' ' ALA . 34.7 t70 -39.07 -64.42 0.46 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.402 HD22 HG11 ' A' ' 17' ' ' VAL . 0.9 OUTLIER -97.36 -96.56 0.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 177.47 89.59 0.08 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.534 1.147 . . . . 0.0 111.007 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.691 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -106.05 57.07 0.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 0.761 . . . . 0.0 109.298 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -108.77 24.27 13.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.466 ' O ' HD12 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -176.16 115.04 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.554 1.159 . . . . 0.0 109.956 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.466 HD12 ' O ' ' A' ' 36' ' ' SER . 0.3 OUTLIER 68.54 20.21 8.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.691 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 5.3 t0 -64.08 -85.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.026 ' O ' HG23 ' A' ' 43' ' ' VAL . 27.0 p -76.5 -59.92 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.355 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.491 ' C ' ' O ' ' A' ' 39' ' ' THR . 96.3 t -32.48 -69.32 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.108 . . . . 0.0 109.317 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.415 ' HG3' ' NE2' ' A' ' 14' ' ' GLN . 0.5 OUTLIER -57.06 -56.41 22.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 110.299 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.089 HD11 HD12 ' A' ' 46' ' ' LEU . 1.2 tm? -39.5 -46.53 1.73 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.288 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.026 HG23 ' O ' ' A' ' 39' ' ' THR . 15.3 t -42.46 -60.05 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . . . . . . . . . 10.9 mmt -52.56 -50.32 63.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 1.01 ' HB1' HG23 ' A' ' 10' ' ' ILE . . . -56.31 -71.08 0.1 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.555 1.159 . . . . 0.0 109.335 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.089 HD12 HD11 ' A' ' 42' ' ' LEU . 9.9 mt -47.99 -24.0 0.95 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.457 ' CG ' ' HA ' ' A' ' 53' ' ' GLU . 0.7 OUTLIER -77.57 -54.34 6.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.08 -33.92 12.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.308 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.1 tt0 -63.7 -89.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.153 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.554 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.7 OUTLIER -92.58 -34.11 14.15 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 110.979 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.554 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 3.9 t70 86.51 80.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.937 HG21 HD13 ' A' ' 72' ' ' ILE . 4.3 t -131.68 12.88 4.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.438 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.465 ' N ' ' CD ' ' A' ' 53' ' ' GLU . 0.9 OUTLIER 34.67 80.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.148 . . . . 0.0 110.257 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.962 HG22 HG22 ' A' ' 43' ' ' VAL . 0.2 OUTLIER -46.86 111.14 1.45 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.286 179.962 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.874 ' HD2' HD13 ' A' ' 54' ' ' ILE . 18.2 Cg_endo -74.98 144.37 30.24 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.513 1.796 . . . . 0.0 111.002 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.638 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 1.5 t70 -58.41 -53.28 60.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.41 ' C ' ' O ' ' A' ' 56' ' ' ASP . 7.0 pt-20 -38.32 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.939 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -104.05 -39.26 6.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.319 -179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.638 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -58.15 -26.72 63.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.547 1.154 . . . . 0.0 109.316 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.94 -2.8 42.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.84 -10.9 13.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.302 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.939 HG23 ' O ' ' A' ' 58' ' ' GLU . 22.3 pt -84.07 -52.79 12.32 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.518 ' C ' HG23 ' A' ' 64' ' ' THR . 4.7 p 40.88 26.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.349 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.518 HG23 ' C ' ' A' ' 63' ' ' THR . 40.7 p -156.84 166.77 32.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.381 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.999 HG13 HG13 ' A' ' 11' ' ' ILE . 39.4 t -85.95 -25.22 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.259 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 69' ' ' ILE . 4.0 tp-100 -70.79 -51.82 24.52 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.787 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -50.76 -33.92 25.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 109.243 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.995 ' HB1' HD11 ' A' ' 46' ' ' LEU . . . -70.15 -24.66 63.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.454 1.096 . . . . 0.0 109.351 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.833 ' CG1' HG11 ' A' ' 7' ' ' VAL . 89.5 mt -86.28 -50.85 13.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.517 1.136 . . . . 0.0 109.308 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -60.76 -21.46 63.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.16 -42.83 22.7 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 1.134 . . . . 0.0 111.013 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.937 HD13 HG21 ' A' ' 52' ' ' THR . 1.5 mm -71.01 -24.82 24.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.333 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -89.99 -35.8 15.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 109.345 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.43 19.72 38.39 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 45.8 t60 -88.91 -48.12 7.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 0.765 . . . . 0.0 109.579 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 mt-30 -88.47 93.92 9.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.265 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.289 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 63.7 m . . . . . 0 N--CA 1.453 -0.279 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.482 ' HA ' ' CG ' ' A' ' 5' ' ' GLU . 47.4 p -89.14 45.85 1.33 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 110.378 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.983 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.2 OUTLIER -111.5 -51.44 5.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 0.7 OUTLIER -76.18 -52.69 9.55 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 110.298 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.482 ' CG ' ' HA ' ' A' ' 2' ' ' THR . 3.8 pt-20 -50.54 -24.04 2.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 110.29 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 57.6 mtp180 -97.23 -33.12 11.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.322 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.983 HG23 ' O ' ' A' ' 3' ' ' ILE . 2.7 t -46.6 -43.12 5.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -52.17 -45.36 65.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 109.315 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.417 ' O ' ' N ' ' A' ' 13' ' ' GLN . 64.0 mttt -59.52 -53.55 56.75 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.484 1.115 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.939 HG23 ' CB ' ' A' ' 45' ' ' ALA . 68.8 mt -46.66 -50.67 5.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 109.244 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.892 HG13 HG13 ' A' ' 65' ' ' VAL . 11.8 mm -73.12 -25.72 22.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -74.45 -23.59 75.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.483 1.114 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.417 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -105.9 -51.12 3.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 110.281 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.552 ' O ' HD12 ' A' ' 37' ' ' LEU . 32.0 mm-40 -51.7 -65.73 0.51 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.681 ' HG ' HG23 ' A' ' 11' ' ' ILE . 3.5 mt -58.44 -28.9 65.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.36 51.73 4.53 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.56 1.162 . . . . 0.0 110.948 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.8 m -131.85 -167.36 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.464 0.743 . . . . 0.0 109.318 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.51 -175.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 109.274 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 7.0 mt-30 -123.94 -42.84 2.14 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 110.264 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -86.71 -30.13 21.89 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.496 1.123 . . . . 0.0 110.292 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -82.24 -27.42 32.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 110.291 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -73.03 115.7 14.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.356 179.968 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 76.5 p -87.29 178.07 6.96 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 66' ' ' GLN . 5.8 p30 -91.16 -43.16 10.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.285 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 52.2 t30 -64.62 -12.59 47.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.677 ' HB1' HD12 ' A' ' 32' ' ' LEU . . . -49.76 123.95 8.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.315 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.598 ' HA ' HG22 ' A' ' 64' ' ' THR . 3.8 m -99.83 58.91 1.05 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.129 . . . . 0.0 109.986 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.726 ' C ' HG23 ' A' ' 29' ' ' VAL . 2.3 p90 -38.63 159.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.1 . . . . 0.0 110.993 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.726 HG23 ' C ' ' A' ' 28' ' ' PHE . 2.8 t 85.31 -47.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.566 1.166 . . . . 0.0 109.371 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -104.69 -24.71 12.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.297 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.408 ' O ' ' O ' ' A' ' 32' ' ' LEU . 0.6 OUTLIER -108.68 -87.97 0.49 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.251 -179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 HD12 ' HB1' ' A' ' 26' ' ' ALA . 0.7 OUTLIER -45.74 -94.39 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.548 1.155 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 164.78 99.39 0.14 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.475 1.109 . . . . 0.0 111.058 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -153.09 86.62 1.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 0.771 . . . . 0.0 109.261 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -120.04 38.49 3.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.478 ' CB ' HD23 ' A' ' 37' ' ' LEU . 8.5 t -152.52 -57.52 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.988 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.552 HD12 ' O ' ' A' ' 14' ' ' GLN . 0.1 OUTLIER -118.51 44.86 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.125 . . . . 0.0 109.293 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.477 ' CG ' ' N ' ' A' ' 39' ' ' THR . 0.1 OUTLIER -78.89 -48.98 13.62 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.112 . . . . 0.0 109.287 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.039 ' O ' HG23 ' A' ' 43' ' ' VAL . 6.7 t -113.06 -55.62 2.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.434 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.539 ' N ' HG23 ' A' ' 39' ' ' THR . 44.1 t -39.62 -33.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.407 ' N ' ' C ' ' A' ' 39' ' ' THR . 0.4 OUTLIER -91.31 -58.89 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 110.277 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.972 HD21 ' CD1' ' A' ' 46' ' ' LEU . 1.4 tt -40.3 -42.02 1.46 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 109.286 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.039 HG23 ' O ' ' A' ' 39' ' ' THR . 38.9 t -50.44 -64.39 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.418 ' O ' ' HB2' ' A' ' 47' ' ' GLU . 22.0 mmt -44.98 -55.61 5.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.939 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.76 -69.54 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.972 ' CD1' HD21 ' A' ' 42' ' ' LEU . 18.4 mt -48.81 -24.01 1.28 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.511 ' N ' ' O ' ' A' ' 43' ' ' VAL . 0.6 OUTLIER -76.97 -54.97 5.88 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 -179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.36 -33.26 3.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.437 ' HG3' ' CD1' ' A' ' 50' ' ' PHE . 15.2 tp10 -54.39 -88.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.441 ' O ' ' C ' ' A' ' 51' ' ' ASP . 3.6 m-30 -112.09 41.47 1.96 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.485 1.115 . . . . 0.0 110.984 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.473 ' N ' ' O ' ' A' ' 47' ' ' GLU . 29.5 m-20 37.19 60.49 1.02 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.617 HG22 ' O ' ' A' ' 52' ' ' THR . 0.7 OUTLIER -123.41 98.46 5.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 110.401 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.477 ' HA ' ' CG ' ' A' ' 47' ' ' GLU . 19.8 pt-20 -66.51 145.99 55.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.803 HG23 HG22 ' A' ' 43' ' ' VAL . 0.1 OUTLIER -129.67 94.31 32.45 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.48 ' O ' ' N ' ' A' ' 59' ' ' ALA . 18.5 Cg_endo -75.0 145.01 30.94 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.475 1.777 . . . . 0.0 110.994 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.884 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 2.8 p-10 -38.25 -54.6 1.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' C ' ' O ' ' A' ' 56' ' ' ASP . 6.0 pt-20 -37.52 -41.54 0.46 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.265 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.454 ' N ' ' O ' ' A' ' 55' ' ' PRO . 0.6 OUTLIER -99.01 -23.89 15.12 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 110.335 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.884 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -65.06 -32.47 74.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.295 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.71 ' O ' HG23 ' A' ' 63' ' ' THR . 0.0 OUTLIER -56.9 -17.47 9.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 64.1 mttt -93.32 1.21 57.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.595 ' CD1' HD13 ' A' ' 42' ' ' LEU . 0.6 OUTLIER -115.11 18.66 7.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.71 HG23 ' O ' ' A' ' 60' ' ' GLU . 82.0 p -33.91 -35.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.431 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 27' ' ' SER . 1.3 p -105.24 161.98 13.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.892 HG13 HG13 ' A' ' 11' ' ' ILE . 49.3 t -68.76 -51.06 49.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.355 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.415 ' N ' ' O ' ' A' ' 24' ' ' ASN . 12.9 tp60 -42.16 -54.67 3.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 110.301 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 71' ' ' TYR . . . -44.05 -48.65 8.9 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.58 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -39.63 -32.63 0.14 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.69 ' CG1' HG11 ' A' ' 7' ' ' VAL . 74.8 mt -82.04 -49.4 17.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.1 t0 -62.53 -13.99 36.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.446 ' N ' ' O ' ' A' ' 67' ' ' ALA . 1.2 t80 -88.52 -54.64 4.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.962 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.957 HG21 HD11 ' A' ' 3' ' ' ILE . 4.5 mm -64.72 -20.19 26.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 6.5 m-80 -84.84 -33.26 22.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.21 14.42 60.89 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.485 1.116 . . . . 0.0 110.998 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -117.22 -63.0 1.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 0.766 . . . . 0.0 109.605 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.74 143.21 51.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 110.333 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 179.996 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.963 -0.384 . . . . 0.0 109.963 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.5 p 52.97 19.96 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.121 . . . . 0.0 110.425 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.809 HD13 HG23 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -142.97 -49.91 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.695 ' CB ' HG21 ' A' ' 69' ' ' ILE . 1.6 pp20? -72.27 -24.92 61.42 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.319 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -79.59 -26.79 41.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.452 1.095 . . . . 0.0 110.257 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . 0.443 ' NH2' ' OE2' ' A' ' 49' ' ' GLU . 8.4 mtp85 -93.42 -42.15 9.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.545 1.153 . . . . 0.0 110.31 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.879 HG11 ' CG1' ' A' ' 69' ' ' ILE . 4.9 t -43.42 -49.93 1.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -42.5 -37.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.465 1.103 . . . . 0.0 109.282 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.466 ' O ' ' N ' ' A' ' 13' ' ' GLN . 1.4 ttpt -67.67 -52.96 31.74 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 109.299 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.936 HG23 ' CB ' ' A' ' 45' ' ' ALA . 41.6 mt -48.88 -23.79 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 1.043 HG21 HG22 ' A' ' 65' ' ' VAL . 8.1 mm -100.33 -27.67 3.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.566 1.166 . . . . 0.0 109.254 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.555 ' HA2' HG23 ' A' ' 17' ' ' VAL . . . -96.86 16.35 61.12 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.524 1.14 . . . . 0.0 110.978 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' A' ' 9' ' ' LYS . 19.0 mm-40 -135.37 -45.79 0.69 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 0.774 . . . . 0.0 110.304 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' NE2' ' HB3' ' A' ' 41' ' ' GLU . 0.0 OUTLIER -75.44 -65.87 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 1.097 . . . . 0.0 110.292 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.592 HD22 ' HA ' ' A' ' 38' ' ' ASP . 2.3 mt -48.22 -65.32 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.267 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.588 ' O ' HG13 ' A' ' 17' ' ' VAL . . . 128.93 77.6 0.2 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.507 1.13 . . . . 0.0 111.039 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.914 ' CG1' HD22 ' A' ' 32' ' ' LEU . 16.4 m -157.54 160.11 2.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 109.256 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -66.68 177.59 1.56 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -88.15 -39.95 14.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 110.278 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -42.34 72.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.272 -179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.14 -40.42 97.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 0.0 110.286 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -80.42 130.13 36.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.14 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 18.3 p -136.21 -141.1 0.17 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.38 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.444 ' OD1' ' N ' ' A' ' 25' ' ' ASN . 7.0 p30 -104.01 -45.54 4.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.541 1.151 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.444 ' N ' ' OD1' ' A' ' 24' ' ' ASN . 17.8 p-10 -100.24 45.21 0.99 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.309 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -117.5 110.39 17.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.149 . . . . 0.0 109.281 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.42 ' OG ' HG22 ' A' ' 64' ' ' THR . 3.3 m -85.87 80.74 8.81 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 110.024 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.813 ' HA ' HD12 ' A' ' 32' ' ' LEU . 2.8 p90 -37.69 -37.85 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.599 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.1 OUTLIER -39.7 -86.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.599 ' H ' HG23 ' A' ' 29' ' ' VAL . 7.4 tm-20 -69.08 -60.43 2.36 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.427 ' C ' ' O ' ' A' ' 30' ' ' GLU . 4.8 m-20 -38.25 -63.99 0.45 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.122 . . . . 0.0 109.314 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.914 HD22 ' CG1' ' A' ' 17' ' ' VAL . 1.8 mt -96.51 -112.4 0.14 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . -177.25 90.58 0.08 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.964 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.625 ' HB1' ' HB2' ' A' ' 38' ' ' ASP . . . -107.63 64.0 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 0.786 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -107.7 20.71 18.47 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.107 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -165.82 109.96 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 73.32 29.23 1.69 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.625 ' HB2' ' HB1' ' A' ' 34' ' ' ALA . 9.7 t0 -78.39 -95.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.643 ' O ' HG23 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -60.24 -41.44 93.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.562 1.163 . . . . 0.0 110.393 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 41' ' ' GLU . 55.8 t -52.91 -90.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.509 ' N ' HG12 ' A' ' 40' ' ' VAL . 0.6 OUTLIER -38.47 -46.8 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 110.322 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.904 ' C ' HD13 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -37.06 -37.99 0.18 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.665 HG22 ' O ' ' A' ' 54' ' ' ILE . 61.8 t -63.01 -68.32 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.429 ' C ' ' O ' ' A' ' 43' ' ' VAL . 1.2 mmt -34.87 -54.72 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.993 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.936 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -55.0 -75.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.882 HD23 HD13 ' A' ' 10' ' ' ILE . 24.1 mt -44.3 -26.83 0.36 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.59 ' HG3' HG12 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -74.38 -52.88 10.85 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.167 . . . . 0.0 110.244 -179.948 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.03 -34.66 78.96 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 0.0 110.293 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' CG ' HD11 ' A' ' 10' ' ' ILE . 18.6 tp10 -46.94 -59.8 2.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.271 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.499 ' O ' ' CB ' ' A' ' 51' ' ' ASP . 0.3 OUTLIER -131.03 -66.9 0.73 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.138 . . . . 0.0 110.961 179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.499 ' CB ' ' O ' ' A' ' 50' ' ' PHE . 4.7 m-20 156.76 97.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 52' ' ' THR . 12.4 t -175.29 99.38 0.08 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 110.403 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -65.67 66.42 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.665 ' O ' HG22 ' A' ' 43' ' ' VAL . 0.3 OUTLIER -49.35 105.76 0.55 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.097 . . . . 0.0 109.3 -179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.604 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.4 Cg_endo -74.95 149.51 37.04 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.535 1.808 . . . . 0.0 111.008 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.491 ' O ' ' N ' ' A' ' 60' ' ' GLU . 1.4 p30 -58.66 -47.38 84.67 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -45.35 -32.62 2.13 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -100.13 -21.79 15.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.321 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.546 ' HB2' HG13 ' A' ' 54' ' ' ILE . . . -98.62 18.08 17.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.465 1.103 . . . . 0.0 109.268 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 56' ' ' ASP . 3.4 tt0 -104.11 -36.94 7.52 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.14 . . . . 0.0 110.276 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 9.5 ptpt -76.88 -0.98 26.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.481 1.113 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.783 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 10.0 pt -79.8 -55.32 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.302 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 62' ' ' ILE . 8.9 t 50.61 20.23 0.69 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 0.0 110.374 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.725 HG23 ' O ' ' A' ' 63' ' ' THR . 2.7 p -161.05 -173.45 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.449 1.093 . . . . 0.0 110.444 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 1.043 HG22 HG21 ' A' ' 11' ' ' ILE . 94.9 t -94.19 -56.49 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.279 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.476 ' O ' ' N ' ' A' ' 69' ' ' ILE . 1.4 tt0 -39.38 -52.81 2.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 0.0 110.295 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.783 ' HB3' ' HB ' ' A' ' 62' ' ' ILE . . . -46.49 -49.62 18.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.292 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.57 -29.4 64.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.879 ' CG1' HG11 ' A' ' 7' ' ' VAL . 82.3 mt -80.59 -66.19 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -42.31 -28.63 0.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 109.268 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.473 ' CZ ' HD13 ' A' ' 54' ' ' ILE . 5.0 t80 -79.5 -44.11 21.85 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.987 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.736 HG21 HD11 ' A' ' 3' ' ' ILE . 4.6 mm -63.03 -27.05 42.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 109.334 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -78.7 -41.88 29.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.267 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -58.82 -18.82 41.0 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.507 1.13 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -68.48 -62.18 1.5 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 0.798 . . . . 0.0 109.619 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -63.66 111.48 2.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.117 . . . . 0.0 109.334 179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 43.2 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.032 -0.358 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.401 ' HA ' ' CD ' ' A' ' 5' ' ' GLU . 2.6 p -90.28 35.38 0.86 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.363 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.805 ' O ' HG23 ' A' ' 7' ' ' VAL . 0.3 OUTLIER -120.25 -47.32 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.425 ' N ' ' CG2' ' A' ' 3' ' ' ILE . 15.9 pt-20 -66.55 -42.92 86.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.401 ' CD ' ' HA ' ' A' ' 2' ' ' THR . 1.1 pt-20 -50.86 -21.58 1.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.295 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ARG . . . . . . . . . . . . . 19.6 mtp85 -103.08 -32.94 9.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.805 HG23 ' O ' ' A' ' 3' ' ' ILE . 54.4 t -52.86 -53.32 21.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.467 ' O ' ' N ' ' A' ' 12' ' ' GLY . 0.0 OUTLIER -45.97 -43.2 13.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.3 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 13' ' ' GLN . 0.8 OUTLIER -62.23 -48.39 80.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.802 HG23 ' CB ' ' A' ' 45' ' ' ALA . 65.1 mt -51.5 -51.56 24.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.67 HG21 HG22 ' A' ' 65' ' ' VAL . 20.8 mm -72.72 -27.48 25.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 8' ' ' LYS . . . -73.52 -25.32 72.83 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.51 1.131 . . . . 0.0 110.997 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 9' ' ' LYS . 0.7 OUTLIER -104.0 -55.81 2.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 0.735 . . . . 0.0 110.299 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.446 ' NE2' ' O ' ' A' ' 41' ' ' GLU . 11.9 mm100 -46.9 -64.83 0.68 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 0.0 110.283 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.748 ' N ' HD23 ' A' ' 15' ' ' LEU . 1.4 mt -60.49 -45.76 92.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 109.283 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 100.5 53.29 1.07 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.465 1.103 . . . . 0.0 110.998 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -131.08 -172.63 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.331 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 2.9 mppt? -83.08 178.59 8.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 1.8 pt20 -103.2 3.86 36.14 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.316 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -112.53 -32.67 6.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 110.315 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -85.24 5.86 28.49 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.511 1.132 . . . . 0.0 110.33 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.5 ' O ' HG12 ' A' ' 22' ' ' VAL . 54.0 t -113.64 75.0 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.691 ' OG1' ' HB2' ' A' ' 26' ' ' ALA . 41.5 p -78.19 175.48 10.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.392 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.5 p-10 -64.78 -43.56 92.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.26 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.7 t-20 -99.86 50.93 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.691 ' HB2' ' OG1' ' A' ' 23' ' ' THR . . . -122.55 95.56 4.68 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.461 ' HA ' HG22 ' A' ' 64' ' ' THR . 0.7 OUTLIER -74.32 77.35 1.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.13 . . . . 0.0 109.994 -179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PHE . . . . . 0.733 ' HA ' HD12 ' A' ' 32' ' ' LEU . 9.1 p90 -39.65 -36.98 0.46 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.472 1.108 . . . . 0.0 110.994 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.515 HG23 ' H ' ' A' ' 30' ' ' GLU . 0.0 OUTLIER -38.02 -69.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.33 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.515 ' H ' HG23 ' A' ' 29' ' ' VAL . 0.0 OUTLIER -100.24 -48.37 4.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.448 1.092 . . . . 0.0 110.255 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.45 ' OD1' ' N ' ' A' ' 27' ' ' SER . 4.7 m-20 -39.01 -67.79 0.2 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 109.317 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.733 HD12 ' HA ' ' A' ' 28' ' ' PHE . 1.2 mt -87.0 -86.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 28' ' ' PHE . . . 166.65 97.68 0.12 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.47 1.106 . . . . 0.0 110.986 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -163.73 94.48 0.77 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 0.763 . . . . 0.0 109.32 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -125.83 24.04 7.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.35 -65.15 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 110.03 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.61 27.36 3.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.733 ' HA ' HD22 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -85.33 -40.14 16.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 1.006 ' O ' HG23 ' A' ' 43' ' ' VAL . 1.1 m -105.09 -69.73 0.8 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 110.371 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.486 ' C ' ' O ' ' A' ' 39' ' ' THR . 85.1 t -33.28 -65.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.446 ' O ' ' NE2' ' A' ' 14' ' ' GLN . 0.6 OUTLIER -57.71 -57.38 13.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 110.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.032 HD21 HD12 ' A' ' 46' ' ' LEU . 1.0 OUTLIER -39.42 -40.34 0.8 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 1.006 HG23 ' O ' ' A' ' 39' ' ' THR . 6.2 t -53.55 -72.02 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' MET . . . . . 0.465 ' C ' ' O ' ' A' ' 43' ' ' VAL . 2.3 mmt -32.73 -53.76 0.34 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 111.009 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.802 ' CB ' HG23 ' A' ' 10' ' ' ILE . . . -57.71 -68.59 0.23 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 1.032 HD12 HD21 ' A' ' 42' ' ' LEU . 38.4 mt -51.16 -25.5 5.41 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.66 ' HA ' HG22 ' A' ' 52' ' ' THR . 28.4 mt-10 -73.34 -53.15 11.48 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 110.317 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.65 -31.79 26.89 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.314 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.48 -75.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.303 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.51 ' O ' ' C ' ' A' ' 51' ' ' ASP . 32.5 m-85 -114.85 43.17 2.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 111.027 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.528 ' N ' ' O ' ' A' ' 47' ' ' GLU . 38.2 m-20 32.06 56.63 0.35 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.521 1.138 . . . . 0.0 109.35 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.66 HG22 ' HA ' ' A' ' 47' ' ' GLU . 12.2 t -100.9 -148.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.397 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . 0.635 ' N ' HG23 ' A' ' 52' ' ' THR . 2.1 pt-20 -178.89 66.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.8 HG12 HD13 ' A' ' 62' ' ' ILE . 0.3 OUTLIER -46.45 104.41 0.4 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' N ' HD12 ' A' ' 54' ' ' ILE . 18.3 Cg_endo -75.01 144.59 30.4 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.513 1.796 . . . . 0.0 110.986 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.723 ' HA ' ' HB3' ' A' ' 59' ' ' ALA . 60.3 t0 -44.42 -53.2 7.11 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.493 1.12 . . . . 0.0 109.317 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -42.99 -27.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 110.296 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . 0.59 ' O ' HG23 ' A' ' 62' ' ' ILE . 0.0 OUTLIER -107.86 -22.66 12.37 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.723 ' HB3' ' HA ' ' A' ' 56' ' ' ASP . . . -66.14 -29.63 69.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.538 1.149 . . . . 0.0 109.336 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.483 ' O ' HG23 ' A' ' 63' ' ' THR . 2.1 tt0 -72.24 -8.54 55.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -103.26 -7.58 21.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.306 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.8 HD13 HG12 ' A' ' 54' ' ' ILE . 2.8 pt -110.46 17.63 7.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.1 p -35.78 -33.4 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.403 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.469 ' N ' ' O ' ' A' ' 62' ' ' ILE . 3.1 p -105.03 165.06 11.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 110.428 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG22 HG21 ' A' ' 11' ' ' ILE . 44.8 t -69.98 -46.09 74.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -39.58 -54.29 2.01 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.592 ' HB3' ' HA ' ' A' ' 62' ' ' ILE . . . -56.92 -47.62 80.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.417 ' HB3' ' O ' ' A' ' 65' ' ' VAL . . . -51.25 -21.92 2.4 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.315 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.685 HG13 HG11 ' A' ' 7' ' ' VAL . 1.5 mp -92.91 -47.74 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.4 t0 -68.25 -9.23 45.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.457 ' N ' ' O ' ' A' ' 67' ' ' ALA . 0.7 OUTLIER -89.72 -57.18 2.96 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 111.026 179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 3' ' ' ILE . 4.3 mm -60.39 -17.5 14.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -91.48 -33.9 15.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -86.33 12.33 60.94 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -107.0 -50.89 3.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.511 0.771 . . . . 0.0 109.633 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -40.07 -67.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.478 1.112 . . . . 0.0 110.314 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 109.334 179.976 . . . . . . . . 0 0 . 1 stop_ save_