data_1u5m_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 1u5m _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 ' 9' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.0 m -120.1 135.01 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.207 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.17 111.79 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.3 tm0? -121.01 97.93 5.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 70.43 7.61 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.47 21.9 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 53.1 mt-30 -114.83 123.48 49.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 111.02 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.6 m-85 -118.58 160.16 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.492 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 10.3 t30 -78.45 164.76 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -71.72 -57.18 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 4.0 tttt -60.31 -21.86 62.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.68 150.62 40.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 32' ' ' VAL . 53.9 t -132.5 133.54 59.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 30.2 p90 -129.67 142.68 50.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.01 100.07 41.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.9 mt-10 -129.54 144.81 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.8 Cg_endo -74.9 -1.61 11.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 84.4 m -115.91 -19.21 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 108.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.3 133.48 38.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.42 151.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.18 148.12 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.329 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.5 p -152.97 143.06 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.5 t -92.58 65.76 4.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 108.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.05 125.18 28.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m 65.18 28.06 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.33 77.9 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.1 m -109.38 136.29 49.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.32 93.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -96.33 118.4 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 127.98 53.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.04 147.55 50.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.63 157.84 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.954 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 133.64 16.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -149.61 135.42 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -92.76 121.26 66.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.64 3.6 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.6 t80 56.26 -95.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.567 ' N ' ' CG ' ' A' ' 58' ' ' PHE . . . -145.58 101.32 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mm-40 -128.58 -147.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 27' ' ' PRO . 28.8 m -138.23 17.32 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.406 1.066 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 89.02 20.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 56.42 4.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -142.85 178.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.2 p -97.07 117.75 65.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.3 m -111.25 145.15 39.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 2.0 p -100.17 111.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 2.3 tm0? -113.24 98.01 6.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.86 9.0 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.27 23.3 8.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 18.7 mm-40 -116.01 125.53 52.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 110.38 17.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.5 m-85 -120.96 142.15 50.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -170.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -83.25 -68.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -15.83 27.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.33 121.32 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG23 ' CG2' ' A' ' 32' ' ' VAL . 21.4 t -107.98 145.72 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 37.1 p90 -134.34 149.76 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.72 100.81 40.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.378 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.78 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.813 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -142.73 152.14 58.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.811 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.499 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.22 -36.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.341 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.05 132.17 53.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.45 HG23 ' CD1' ' A' ' 43' ' ' ILE . 2.8 pt -113.43 147.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -128.81 147.13 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 108.392 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 22' ' ' VAL . 3.7 p -151.23 155.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.1 t -96.27 69.03 2.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.57 122.3 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m 63.92 28.69 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.77 62.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.7 m -105.99 136.94 44.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 0.73 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.92 92.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -101.47 123.55 45.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -100.22 129.42 46.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 108.266 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 6.3 t70 -104.87 164.87 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 21.0 t0 -95.0 137.44 34.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 59.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.418 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.98 137.8 22.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.387 1.73 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -158.5 120.76 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 63' ' ' PRO . 1.6 tt -74.75 125.54 89.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.01 117.61 4.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 53.2 t80 36.31 44.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.11 121.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 4.9 mm-40 -137.55 -77.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 0.805 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.3 t -178.28 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 108.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 104.02 48.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.372 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.412 ' N ' HD12 ' A' ' 56' ' ' ILE . 18.0 Cg_endo -75.02 67.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.1 pt -135.85 174.29 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 117.79 64.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.332 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.05 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -110.63 140.88 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.0 111.73 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' HG3' ' NE1' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -124.57 101.59 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.86 13.14 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.3 7.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 2.4 mm-40 -128.3 127.27 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 27.8 ptt180 -82.84 121.85 27.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 53.4 m-85 -128.24 142.15 51.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.8 -177.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.1 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -18.14 15.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 126.28 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 30' ' ' ILE . 57.4 t -114.11 134.44 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.402 ' NE1' ' HG3' ' A' ' 12' ' ' GLN . 26.5 p90 -133.07 140.59 47.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 99.92 41.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.74 2.39 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ARG . 74.0 mt-10 -136.02 147.47 60.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -114.31 -22.18 10.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 tpp180 -134.8 133.54 39.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.49 139.71 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -121.54 149.5 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG2' HG23 ' A' ' 22' ' ' VAL . 2.1 p -157.31 138.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.27 70.04 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 125.6 30.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m 63.32 25.23 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.45 -8.95 62.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.423 1.077 . . . . 0.0 111.04 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -99.85 142.01 31.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.72 92.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.94 123.72 46.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.78 127.91 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -114.83 174.0 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.22 133.34 34.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.927 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.463 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.02 138.12 22.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -155.63 119.99 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 tt -80.96 122.5 81.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.2 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PRO . 20.6 t80 36.85 43.8 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.75 113.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 2.8 mt-10 -136.22 -135.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 0.712 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.6 m -130.47 19.4 5.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 90.44 5.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 55.39 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.463 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 3.3 pt -139.9 178.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.62 117.72 65.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.945 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.41 154.31 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.257 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 11' ' ' VAL . 2.3 m -107.31 111.15 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.04 99.77 7.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.72 8.19 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.77 22.81 8.19 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 2.6 tt0 -119.05 131.39 55.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -82.71 133.39 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.532 ' CE2' ' HG2' ' A' ' 15' ' ' GLN . 25.9 m-85 -132.57 123.91 27.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -56.15 175.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -76.11 -68.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -48.78 -23.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' ASP . 5.7 m-20 -60.26 100.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.432 HG23 ' CG2' ' A' ' 32' ' ' VAL . 98.8 t -104.27 129.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.572 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 27.0 p90 -128.12 147.71 50.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.79 100.15 49.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 10.4 mt-10 -130.78 150.61 76.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.3 Cg_endo -74.95 -11.39 21.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -117.87 -3.85 11.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.04 128.39 34.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 24' ' ' LYS . 1.8 pt -111.69 139.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 133.37 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG2' HG23 ' A' ' 22' ' ' VAL . 4.3 p -142.46 141.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 19' ' ' ASP . 3.0 t -96.53 119.09 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -116.55 108.09 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 62.93 23.33 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.76 -1.1 56.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -101.78 114.58 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.359 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.572 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.0 p -94.77 110.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -115.79 131.63 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 127.82 46.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -128.74 173.43 10.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.616 1.198 . . . . 0.0 109.23 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.97 148.48 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.469 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 138.93 23.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.583 1.833 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -156.98 121.17 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -74.72 121.17 84.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.97 110.64 3.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 39.6 t80 48.28 48.66 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 54.99 116.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 8.0 mm-40 -141.35 -149.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 93.5 m -112.5 -18.07 12.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -112.98 95.72 35.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.11 3.53 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -133.94 173.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.05 117.41 65.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.26 138.38 46.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.7 110.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -127.51 114.15 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 60.49 14.94 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.07 39.43 6.94 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -137.95 130.76 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 0.826 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.63 118.47 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -120.53 148.31 44.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.3 t-20 -75.16 167.85 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -72.89 -68.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -22.29 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.05 100.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 32' ' ' VAL . 32.8 m -98.75 137.73 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 21.0 p90 -139.17 143.48 38.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.009 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.25 100.83 42.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 16.1 mm-40 -123.42 151.73 63.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.01 -11.45 21.47 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 23.5 m -120.27 -1.21 10.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -134.02 128.39 34.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.436 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -113.47 129.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' N ' HD11 ' A' ' 30' ' ' ILE . 1.1 m -111.7 136.28 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.5 p -144.36 137.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' ASP . 48.1 t -92.25 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -116.32 119.65 36.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 m 60.64 22.56 12.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.32 1.94 66.26 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 m -106.04 118.27 36.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.562 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 1.8 p -93.12 124.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -133.9 152.71 51.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -118.71 128.57 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.19 169.13 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.61 131.31 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' CYS . 56.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 146.3 32.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.49 120.26 4.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.5 tt -93.59 120.87 65.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.04 122.17 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PRO . 22.3 t80 36.66 40.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.61 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mt-10 -135.23 -139.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' ILE . 27.2 m -122.03 0.83 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.405 ' O ' HG13 ' A' ' 56' ' ' ILE . 78.0 m -123.46 87.64 51.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.22 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.56 178.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.197 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.8 t -97.81 117.75 64.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.18 133.99 55.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 0.0 108.352 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 2.5 p -100.51 111.25 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -115.43 100.63 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.38 11.72 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.36 26.96 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.5 126.51 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 123.0 28.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -130.52 160.7 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 21' ' ' ASP . 4.1 m-20 -56.1 -175.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -80.69 -60.72 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -82.1 -2.43 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -38.35 155.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.95 142.49 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.416 ' O ' ' O ' ' A' ' 31' ' ' CYS . 32.8 p90 -150.54 143.2 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -109.86 100.19 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.54 2.5 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ARG . 18.3 mm-40 -134.73 154.81 79.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 18.5 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.401 ' CA ' HG13 ' A' ' 43' ' ' ILE . 20.3 m -116.53 -6.94 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -134.05 126.46 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CG2' HD11 ' A' ' 43' ' ' ILE . 7.3 pt -117.79 126.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' TRP . 1.5 m -112.04 131.48 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.75 119.37 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 19' ' ' ASP . 40.4 t -68.36 121.61 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 108.322 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.08 118.29 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.8 m 55.91 17.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.01 6.81 51.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 m -107.31 126.45 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 0.716 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.27 93.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.31 130.28 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 129.65 56.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.41 167.95 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.64 156.89 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.453 HD11 ' CG2' ' A' ' 30' ' ' ILE . 2.4 mm . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 153.21 41.3 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -147.06 120.59 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 63' ' ' PRO . 1.7 mp -109.06 101.03 43.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' HG3' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -75.01 111.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 30.9 t80 40.41 39.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' ' 56' ' ' ILE . . . 56.75 118.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' ' 57' ' ' PRO . 2.1 mt-10 -134.91 -144.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 27' ' ' PRO . 67.5 m -115.65 -6.48 12.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.33 88.02 21.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 18.2 Cg_endo -74.96 55.8 4.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CG2' ' C ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -151.28 178.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 53' ' ' SER . 2.0 t -97.61 117.94 64.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.91 132.15 51.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 11' ' ' VAL . 3.4 m -101.28 111.35 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.1 tm0? -111.56 97.91 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.22 11.81 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.44 25.96 6.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.0 mt-30 -120.0 130.26 54.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.78 128.08 34.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.1 m-85 -138.13 157.41 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.93 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -84.22 -61.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -82.33 -3.7 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -138.43 141.34 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.498 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 31.6 p90 -143.08 148.16 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 108.047 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 100.36 47.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' ARG . 50.5 mm-40 -143.78 156.2 59.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 Cg_endo -75.09 -8.22 19.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.9 -8.25 11.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.0 125.82 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.95 131.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.4 ' N ' HD12 ' A' ' 30' ' ' ILE . 74.1 m -120.25 141.32 50.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -152.19 121.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -69.71 128.42 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.36 94.92 4.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m 61.96 25.45 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' CA ' ' SG ' ' A' ' 33' ' ' CYS . . . 111.12 -19.58 24.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -83.38 110.38 18.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.2 t -81.1 97.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -98.6 152.46 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' HD13 ' A' ' 39' ' ' LEU . 82.0 m -136.48 128.09 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.95 166.52 18.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.75 143.5 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.3 tt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.03 142.75 28.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -157.39 121.56 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.78 113.75 22.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.96 4.44 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.568 1.825 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 21.8 t80 39.95 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.13 90.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -117.37 -171.63 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 95.0 m -105.67 -21.01 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.0 m -108.01 102.24 44.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 108.368 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.468 ' CA ' HD13 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -75.01 55.74 4.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.483 1.78 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.481 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -137.05 174.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -98.02 116.73 65.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 111.057 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -108.91 126.26 52.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -101.64 111.57 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -124.49 97.87 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.76 5.57 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.64 18.81 10.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 4.0 mt-30 -114.77 132.91 56.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -82.9 120.05 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 31.8 m-85 -134.51 157.39 46.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.12 -176.48 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -81.64 -68.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -23.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.81 128.52 36.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG1' HG21 ' A' ' 32' ' ' VAL . 3.1 m -118.92 135.61 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -127.39 148.3 50.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 108.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 100.16 40.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.396 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -37.13 2.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 4.9 mt-10 -131.95 156.44 80.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.55 20.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.7 t -123.0 0.97 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.461 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 11.7 tpp180 -133.68 135.53 44.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.76 127.88 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.8 m -110.98 141.83 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 22' ' ' VAL . 7.5 p -146.93 139.69 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.3 t -93.73 102.18 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.1 110.43 20.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m 73.87 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.436 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.43 5.94 88.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.412 1.07 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.33 52.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.1 92.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tp -101.01 129.69 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 127.88 56.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.49 152.16 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.1 139.11 39.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.983 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.403 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.91 122.09 7.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -147.27 139.16 24.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.28 112.75 14.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 55' ' ' GLU . 18.5 Cg_endo -74.94 115.97 4.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 16.4 t80 41.09 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 32.24 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.64 -171.54 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.3 t -106.1 -22.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.86 105.47 53.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 108.249 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.472 ' CD ' HD13 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.06 55.41 3.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.565 1.824 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -124.78 166.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 117.62 65.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.006 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.83 129.19 54.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -96.55 111.66 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 5.9 tm0? -123.99 100.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.62 11.14 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.08 26.77 8.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.552 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 30.0 mt-30 -120.25 121.11 37.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.88 114.07 20.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 62.2 m-85 -117.88 160.75 20.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.47 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -78.17 -64.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ASP . 2.7 ttpp -79.55 -2.62 43.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -36.5 143.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 32' ' ' VAL . 99.3 t -123.82 138.94 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.0 p90 -150.65 145.63 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 100.71 46.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.55 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.6 mt-10 -124.21 149.81 61.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -9.47 20.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -117.43 -7.64 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.19 128.97 33.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 tt -112.53 133.42 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 m -114.32 143.27 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 22' ' ' VAL . 2.4 p -150.52 121.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 19' ' ' ASP . 35.6 t -74.86 125.91 29.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.47 98.45 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.2 m 61.47 23.65 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.96 -17.23 27.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.423 1.077 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -84.16 111.23 19.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.21 93.79 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -106.07 152.1 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.419 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -124.94 127.83 47.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.314 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -106.43 146.38 30.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.76 155.49 40.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.495 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 17.9 Cg_endo -75.1 122.2 7.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.767 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.14 137.89 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.98 113.7 22.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -74.94 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 59' ' ' GLY . 22.6 t80 42.75 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.26 90.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 10.1 mm-40 -121.34 -171.7 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.8 t -106.57 -16.9 14.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.1 p -111.55 98.42 40.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' N ' HD12 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 55.35 3.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.495 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -139.96 178.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.4 p -99.16 117.02 64.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 111.004 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.423 ' CB ' ' HG2' ' A' ' 16' ' ' ARG . 73.2 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -116.31 149.17 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 p -100.57 111.55 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.93 100.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.64 9.96 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.1 26.33 7.91 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -120.72 126.02 49.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 0.693 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -82.74 112.45 19.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.2 m-85 -120.63 129.63 53.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.8 166.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -72.97 -68.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -48.02 -24.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.84 148.85 51.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 32' ' ' VAL . 85.4 t -137.7 132.78 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CH2' HG23 ' A' ' 38' ' ' VAL . 43.9 p90 -121.95 148.8 44.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.82 99.77 39.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.91 2.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 11.0 mm-40 -133.49 155.42 80.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.25 19.86 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 t -124.33 1.24 8.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 108.232 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.4 136.5 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -122.77 144.64 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.87 141.5 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 22' ' ' VAL . 1.5 p -145.74 133.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 19' ' ' ASP . 51.0 t -82.55 116.81 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.281 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.0 t70 -116.82 111.58 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 p 38.08 76.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.15 22.13 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.0 m -138.53 102.91 4.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.432 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.574 HG23 ' CH2' ' A' ' 23' ' ' TRP . 2.3 p -94.72 136.7 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.17 143.8 46.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 127.89 54.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.19 148.01 36.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.2 160.14 31.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.4 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.977 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.93 134.65 18.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.81 124.28 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -72.05 120.76 82.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -75.04 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 46.0 t80 46.53 49.7 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.51 119.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 28.1 mm-40 -145.35 -150.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.3 t -112.65 -16.2 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.329 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.5 m -116.67 98.21 51.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.475 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.3 pt -135.61 178.23 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.63 117.53 65.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m -110.4 140.01 45.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 108.341 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -96.88 111.58 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.2 tm0? -124.76 103.0 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.63 13.24 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.68 31.47 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -131.37 127.38 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 116.53 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.3 m-85 -119.09 144.21 46.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -54.56 -170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' CYS . 76.7 m-20 -87.43 -68.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.26 -16.04 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.36 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -110.99 156.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 23.8 p90 -150.08 148.49 29.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 101.35 43.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -141.54 148.66 51.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 52.96 3.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.22 132.78 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.462 HG23 ' CG1' ' A' ' 43' ' ' ILE . 1.1 pp -110.26 160.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.43 136.19 23.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.7 p -143.85 134.66 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' ASP . 24.7 t -68.7 70.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' VAL . 54.2 t0 -78.89 124.1 27.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 m 61.02 27.31 17.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.8 -6.17 67.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.0 m -101.78 143.97 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.96 91.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -104.65 132.28 51.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.44 129.76 47.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.48 156.57 18.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.96 160.1 28.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.462 ' CG1' HG23 ' A' ' 30' ' ' ILE . 16.1 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.464 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.06 137.49 21.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.63 131.95 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tt -78.89 121.6 83.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.08 121.39 6.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' PRO . 10.6 t80 35.72 40.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 2.5 mm-40 -134.7 -75.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 110.235 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.51 -38.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.0 m -107.36 103.31 48.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.83 5.24 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -126.3 169.92 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.95 117.99 64.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.01 120.34 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 4.5 m -99.39 111.18 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.3 tm0? -110.16 97.96 7.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.36 11.57 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.57 25.15 6.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -119.87 135.09 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -82.9 118.77 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -134.79 153.22 52.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -164.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 9.2 m-20 -88.85 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -64.35 -12.59 43.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.99 112.37 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.05 150.98 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 27.3 p90 -144.51 151.61 39.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 101.51 43.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -39.95 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -143.59 149.26 46.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.96 3.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.49 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.4 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -124.39 132.65 53.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 43' ' ' ILE . 2.0 pp -107.01 153.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 91.5 m -139.8 132.06 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 108.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.81 143.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -78.96 68.57 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 108.235 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.73 129.49 37.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.594 1.184 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.9 m 60.2 25.85 15.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.4 ' C ' ' SG ' ' A' ' 33' ' ' CYS . . . 83.94 -11.02 58.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -98.13 138.03 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.15 91.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tp -105.91 149.49 26.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 55.9 m -122.9 132.74 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -108.79 162.98 13.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.32 126.92 35.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.49 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 56.3 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.412 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 126.28 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.68 126.47 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -72.05 119.22 73.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.97 121.88 6.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t80 36.4 40.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.71 118.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.21 -76.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.87 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.72 106.06 58.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 108.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.75 6.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -129.8 178.25 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 117.85 64.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 14.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -109.44 159.35 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -103.35 111.71 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -124.5 98.94 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 5.35 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.51 20.48 10.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.08 129.22 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 7.6 tmm_? -82.95 113.07 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.8 m-85 -111.08 144.37 40.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.54 -172.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 33' ' ' CYS . 74.2 m-20 -77.87 -68.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -15.14 30.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.67 103.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.89 145.69 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -145.46 152.9 40.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.62 101.53 43.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.47 146.16 58.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 51.83 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -36.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 108.241 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 131.01 53.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.54 160.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.9 m -146.76 131.18 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.88 172.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' ASP . 2.3 t -108.28 66.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.337 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.94 128.62 37.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.8 m 51.29 29.02 4.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.7 -13.9 54.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.457 HG22 ' CD2' ' A' ' 39' ' ' LEU . 27.8 m -86.91 132.54 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.76 91.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 37' ' ' THR . 1.2 mm? -102.29 152.01 21.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -118.73 127.71 53.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -110.07 144.2 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.44 126.29 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 137.12 21.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.62 124.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 tt -75.15 124.83 89.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.95 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 24.5 t80 35.43 41.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.43 119.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.02 -75.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.47 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 48.4 t -178.57 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 102.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 69.3 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -131.54 176.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.44 127.32 36.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.077 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.1 m -110.89 157.38 19.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.348 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 3.1 m -109.65 111.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.87 98.02 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.52 9.95 7.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.11 23.62 7.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm-40 -122.21 139.15 54.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -82.76 122.66 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 34.6 m-85 -133.32 128.53 35.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -52.69 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -86.95 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -50.7 -22.67 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.211 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.43 149.73 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.452 ' CG2' HD12 ' A' ' 30' ' ' ILE . 2.8 p -136.05 141.38 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.43 ' NE1' ' HB2' ' A' ' 31' ' ' CYS . 32.9 p90 -137.22 149.14 46.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.42 101.47 42.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.54 148.42 67.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.2 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -169.52 -37.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 132.22 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.452 HD12 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -108.77 142.09 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 25.4 m -116.22 132.43 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 39' ' ' LEU . 3.1 p -133.19 150.03 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.2 t -99.72 105.69 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 108.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.63 106.07 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m 67.89 28.14 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.93 -3.24 87.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -91.57 114.04 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 0.736 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.69 91.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -109.15 151.76 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -121.17 137.0 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.4 134.98 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -86.99 133.14 33.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 2.6 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.459 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 138.64 23.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -155.98 122.66 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.403 HD11 ' CA ' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -78.87 125.5 83.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 59' ' ' GLY . 6.0 t80 35.01 45.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.0 123.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 1.5 mm-40 -138.04 -74.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 37.2 t 178.73 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 104.47 49.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.403 ' CA ' HD11 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 66.93 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.459 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -140.12 170.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.3 t -97.95 117.89 64.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.358 1.073 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.86 159.03 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -104.04 111.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.546 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 1.2 tm0? -123.09 97.82 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.0 5.26 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.66 19.77 10.78 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.502 1.126 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -119.27 128.29 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -82.95 114.56 21.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 50.0 m-85 -113.44 142.68 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.69 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -68.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -14.92 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.21 114.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 m -106.0 150.82 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.546 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 28.6 p90 -145.74 146.86 31.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 101.33 43.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -142.49 149.85 52.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 52.59 3.09 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 48.6 t -169.51 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -123.27 126.84 47.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.44 HG23 ' CD1' ' A' ' 43' ' ' ILE . 1.2 pp -109.17 147.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -126.91 133.01 50.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 108.281 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.78 149.6 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.77 65.55 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 108.384 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 127.64 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.0 m 56.28 26.79 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.23 -17.14 44.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -87.7 133.82 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 0.811 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.44 91.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.81 142.5 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.19 127.98 55.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -107.77 159.73 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 121.71 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 40.0 mt . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -157.74 122.14 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.97 121.93 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.93 122.8 7.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.1 m-85 33.69 40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.15 119.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.62 -76.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -178.32 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.72 106.04 57.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.53 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.9 178.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.63 117.7 65.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.6 m -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -96.82 111.66 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 100.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.57 12.58 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.8 28.87 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -131.07 133.96 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.94 124.63 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 52.6 m-85 -129.58 126.48 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.58 172.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -73.73 -68.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -53.49 -20.66 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.44 117.37 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -105.17 152.78 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -145.13 148.24 33.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 101.35 43.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.37 145.9 57.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 51.92 2.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.498 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.72 -36.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.58 132.77 53.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -108.78 157.78 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.64 136.47 29.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -135.54 162.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.4 t -100.98 115.97 31.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -116.21 110.89 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 m 57.63 28.91 16.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.75 7.33 71.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.4 HG21 ' CD1' ' A' ' 39' ' ' LEU . 45.4 m -108.21 129.66 55.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.45 102.68 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.4 ' CD1' HG21 ' A' ' 37' ' ' THR . 1.0 OUTLIER -110.56 130.86 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.98 128.12 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 108.363 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.45 153.67 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.14 160.28 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 14.7 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.96 22.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.0 120.84 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 tt -74.06 125.12 90.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.02 121.87 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 42.2 t80 35.35 39.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.59 -76.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.8 t -178.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.15 102.25 45.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 71.85 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.56 177.24 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.49 117.95 63.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.51 141.35 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.2 t -97.02 111.92 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -130.13 98.04 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.16 7.19 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.72 21.42 11.3 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.56 1.162 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -118.44 120.05 36.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -82.92 106.5 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 89.9 m-85 -105.76 162.0 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.39 -161.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 33' ' ' CYS . 2.9 t0 -88.64 -68.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -14.46 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 127.52 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.449 HG23 ' CG2' ' A' ' 32' ' ' VAL . 92.8 t -114.21 153.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 31' ' ' CYS . 35.1 p90 -141.05 152.76 45.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 108.045 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.29 100.99 40.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.444 1.76 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -144.11 153.23 56.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.41 1.069 . . . . 0.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' GLU . 18.1 Cg_endo -75.03 54.52 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.24 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.45 134.13 53.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.425 ' CG2' ' HD2' ' A' ' 24' ' ' LYS . 1.1 pt -113.95 148.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 1.2 m -127.22 147.42 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 22' ' ' VAL . 2.0 p -155.0 129.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASP . 26.2 t -69.84 67.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 108.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' VAL . 24.4 t70 -76.78 124.88 28.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m 61.98 26.95 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.83 -5.76 64.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 m -103.14 140.69 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.379 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -81.81 91.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.1 124.67 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -100.14 128.24 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.368 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.23 161.61 14.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.76 135.93 34.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 48.8 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 136.04 19.8 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -155.67 138.72 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.37 114.04 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.02 120.63 6.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.772 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 28.9 t80 35.19 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.02 120.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' PRO . 1.3 mm-40 -135.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 t 179.76 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 108.359 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.78 119.16 29.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 73.09 4.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.492 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -130.01 169.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -97.4 117.66 65.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.909 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 m -110.2 141.78 42.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.6 t -99.6 111.87 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.0 101.61 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.47 7.95 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.18 24.88 9.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 3.2 mm100 -120.34 119.64 33.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -82.91 120.86 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 82.3 m-85 -120.91 142.06 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -52.07 -176.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -68.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.1 -13.6 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 104.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 1.199 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 32' ' ' VAL . 57.3 t -98.87 138.81 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 38' ' ' VAL . 21.7 p90 -143.54 147.52 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' CG ' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.89 101.34 43.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.423 1.749 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -129.76 145.89 58.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.08 51.92 2.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.97 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -124.12 131.61 53.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 43' ' ' ILE . 1.2 pt -115.62 131.81 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.23 138.1 41.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 22' ' ' VAL . 1.7 p -138.58 129.46 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.57 61.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -73.04 124.16 24.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.228 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 m 61.63 28.59 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.365 1.041 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.47 71.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -104.93 129.48 53.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 2.2 p -92.0 101.63 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -112.54 142.1 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.6 128.41 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.06 162.81 16.5 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 6.1 m-20 -74.56 134.88 42.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 98.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 139.43 24.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -158.66 124.91 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 63' ' ' PRO . 1.2 tt -78.07 123.85 86.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.03 118.53 5.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 11.0 t80 35.7 43.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.27 121.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -136.42 -76.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.346 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -178.96 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 108.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.408 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -106.03 104.14 48.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.316 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.422 ' N ' HD13 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 64.75 6.09 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -135.83 168.81 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.85 121.78 56.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 135.53 51.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.366 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.71 111.73 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tm0? -123.45 97.82 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.67 8.66 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.89 21.23 9.78 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.28 130.39 55.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 0.806 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.07 109.21 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -113.17 161.32 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.49 -169.8 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.71 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -62.57 -14.25 40.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.91 124.49 20.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 30' ' ' ILE . 6.1 p -110.04 148.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.2 p90 -149.86 146.71 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 100.79 42.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.417 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.35 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -135.75 147.72 62.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -74.95 52.76 3.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CA ' HD13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.79 -36.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.84 131.98 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.14 137.95 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.87 136.82 52.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.99 126.0 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 t -70.33 70.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.58 124.47 27.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m 58.24 26.08 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.1 -18.3 41.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -86.12 126.06 33.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.573 0.808 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.27 93.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -108.92 149.48 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -114.73 128.82 56.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.0 t70 -105.46 165.34 11.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 p30 -88.31 127.1 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.465 HD13 ' CA ' ' A' ' 28' ' ' CYS . 62.8 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.0 143.79 29.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' ILE . 5.6 tt0 -158.97 125.7 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 63' ' ' PRO . 1.3 tt -84.31 124.42 73.87 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 59' ' ' GLY . 22.5 t80 35.2 43.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.63 121.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' PRO . 1.6 mm-40 -135.79 -75.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.6 t -179.32 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 108.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.95 101.04 42.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.42 ' N ' HD13 ' A' ' 56' ' ' ILE . 18.4 Cg_endo -74.98 65.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.7 pt -135.15 177.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.72 117.51 65.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.449 1.762 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 1.2 m -115.54 136.6 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.8 t -98.87 111.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.6 tm0? -129.09 98.47 4.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.88 5.64 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.35 20.48 11.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.81 122.97 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -82.89 123.89 29.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 80.3 m-85 -128.28 147.95 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -87.84 -63.12 1.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -9.82 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -59.45 112.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 32' ' ' VAL . 59.8 t -99.98 142.67 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 34.6 p90 -133.7 149.53 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.33 100.71 42.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -139.71 150.83 64.41 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.474 1.776 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 44.4 t -169.53 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -122.72 131.79 53.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 43' ' ' ILE . 1.3 pt -112.09 154.02 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -139.5 146.28 39.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.3 p -153.01 147.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.7 t -81.4 64.78 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 108.335 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.7 121.52 19.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m 60.28 26.12 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.3 54.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.68 142.26 27.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 85.5 t -85.85 91.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.04 130.14 51.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.05 128.01 46.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.44 149.81 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -74.53 160.05 31.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 40.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.456 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.95 133.97 17.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -150.5 131.24 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -71.59 119.25 72.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.99 121.84 6.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.5 m-85 33.56 42.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.78 120.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.638 1.211 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.77 -74.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.268 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.3 t -179.49 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.31 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 12.6 p -115.58 113.12 42.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.79 3.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.571 1.827 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -132.79 161.45 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 137.15 20.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 108.368 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.431 0.158 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 2' ' ' VAL . 5.9 m -83.68 64.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.85 86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -103.44 155.63 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.73 136.82 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -153.93 131.76 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.87 150.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.94 -51.51 2.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 p -47.59 147.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 15.0 m -120.1 135.01 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.207 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.17 111.79 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.3 tm0? -121.01 97.93 5.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 70.43 7.61 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.47 21.9 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.549 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 53.1 mt-30 -114.83 123.48 49.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 111.02 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.549 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.6 m-85 -118.58 160.16 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 10.3 t30 -78.45 164.76 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -71.72 -57.18 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 4.0 tttt -60.31 -21.86 62.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.68 150.62 40.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.464 HG22 ' CG2' ' A' ' 32' ' ' VAL . 53.9 t -132.5 133.54 59.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.508 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 30.2 p90 -129.67 142.68 50.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.01 100.07 41.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.9 mt-10 -129.54 144.81 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.8 Cg_endo -74.9 -1.61 11.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.404 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 84.4 m -115.91 -19.21 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 108.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.3 133.48 38.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.42 151.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.18 148.12 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.329 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.464 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.5 p -152.97 143.06 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.5 t -92.58 65.76 4.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 108.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.05 125.18 28.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 96.4 m 65.18 28.06 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.33 77.9 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.1 m -109.38 136.29 49.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.6 t -81.32 93.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -96.33 118.4 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 127.98 53.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.04 147.55 50.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.63 157.84 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 47.5 mt -89.59 98.9 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 pt -93.21 110.26 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.91 171.18 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.67 159.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 177.92 -161.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -86.75 -170.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.424 ' N ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -114.08 -78.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.95 -66.06 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.49 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.1 OUTLIER 44.25 -153.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 108.348 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.08 -71.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.79 146.57 41.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 133.64 16.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -149.61 135.42 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -92.76 121.26 66.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.64 3.6 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.6 t80 56.26 -95.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.567 ' N ' ' CG ' ' A' ' 58' ' ' PHE . . . -145.58 101.32 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mm-40 -128.58 -147.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 27' ' ' PRO . 28.8 m -138.23 17.32 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.406 1.066 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 89.02 20.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 56.42 4.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.474 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -142.85 178.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.2 p -97.07 117.75 65.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -103.16 90.26 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -174.86 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pp -90.52 125.36 35.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.52 74.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.66 150.53 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.33 162.39 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.512 0.196 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -161.82 162.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -101.0 -59.37 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.49 121.89 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.61 169.67 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.72 128.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -111.8 113.69 26.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -65.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t 179.98 153.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.3 m -111.25 145.15 39.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.492 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 2.0 p -100.17 111.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 2.3 tm0? -113.24 98.01 6.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.86 9.0 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.27 23.3 8.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.563 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 18.7 mm-40 -116.01 125.53 52.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 110.38 17.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.563 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.5 m-85 -120.96 142.15 50.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -170.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -83.25 -68.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.21 -15.83 27.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.33 121.32 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG23 ' CG2' ' A' ' 32' ' ' VAL . 21.4 t -107.98 145.72 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 37.1 p90 -134.34 149.76 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.439 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.72 100.81 40.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.378 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.78 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.813 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -142.73 152.14 58.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.811 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.499 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.22 -36.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.341 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.05 132.17 53.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.45 HG23 ' CD1' ' A' ' 43' ' ' ILE . 2.8 pt -113.43 147.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -128.81 147.13 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 108.392 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.403 ' CG2' HG23 ' A' ' 22' ' ' VAL . 3.7 p -151.23 155.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.1 t -96.27 69.03 2.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.57 122.3 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m 63.92 28.69 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.77 62.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.7 m -105.99 136.94 44.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 0.73 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.92 92.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -101.47 123.55 45.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -100.22 129.42 46.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 108.266 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 6.3 t70 -104.87 164.87 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 21.0 t0 -95.0 137.44 34.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.499 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 59.9 mt -88.74 99.01 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 pt -106.55 110.13 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.83 169.25 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.51 166.07 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -146.65 165.08 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 3.2 p -151.28 178.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -37.83 21.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 166.77 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 20.4 t 64.51 166.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -49.46 -96.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -104.68 135.7 19.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.418 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.98 137.8 22.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.387 1.73 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -158.5 120.76 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.412 HD12 ' N ' ' A' ' 63' ' ' PRO . 1.6 tt -74.75 125.54 89.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.01 117.61 4.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 53.2 t80 36.31 44.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.11 121.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 4.9 mm-40 -137.55 -77.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 0.805 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 15.3 t -178.28 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 108.3 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 104.02 48.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.372 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.412 ' N ' HD12 ' A' ' 56' ' ' ILE . 18.0 Cg_endo -75.02 67.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.1 pt -135.85 174.29 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 117.79 64.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.332 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.16 10.25 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.34 -150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.37 66.71 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mt 50.77 62.61 2.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.59 173.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -84.43 156.27 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 74.94 -59.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.454 0.168 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.32 134.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.31 95.15 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.12 163.47 15.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 66.9 9.25 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.46 164.3 21.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.94 128.56 54.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.87 63.21 0.7 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.17 124.14 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -110.63 140.88 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.0 111.73 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' HG3' ' NE1' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -124.57 101.59 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.86 13.14 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.3 7.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 2.4 mm-40 -128.3 127.27 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 27.8 ptt180 -82.84 121.85 27.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 53.4 m-85 -128.24 142.15 51.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.8 -177.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -79.1 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.29 -18.14 15.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 126.28 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG1' HD11 ' A' ' 30' ' ' ILE . 57.4 t -114.11 134.44 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.402 ' NE1' ' HG3' ' A' ' 12' ' ' GLN . 26.5 p90 -133.07 140.59 47.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 99.92 41.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.74 2.39 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ARG . 74.0 mt-10 -136.02 147.47 60.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -114.31 -22.18 10.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 tpp180 -134.8 133.54 39.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.465 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.49 139.71 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -121.54 149.5 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.415 ' CG2' HG23 ' A' ' 22' ' ' VAL . 2.1 p -157.31 138.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 43.0 t -83.27 70.04 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 125.6 30.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.9 m 63.32 25.23 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.45 -8.95 62.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.423 1.077 . . . . 0.0 111.04 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -99.85 142.01 31.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.7 t -83.72 92.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.94 123.72 46.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -104.78 127.91 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -114.83 174.0 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.22 133.34 34.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.6 mt -69.31 98.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 pt -90.36 109.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.83 163.59 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -56.47 105.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.471 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.2 p-10 -130.27 6.1 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 39.8 t 65.0 140.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.75 46.45 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.49 27.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.78 158.9 15.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 p -114.89 153.7 46.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.463 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.02 138.12 22.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -155.63 119.99 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 tt -80.96 122.5 81.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.2 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PRO . 20.6 t80 36.85 43.8 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.75 113.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 2.8 mt-10 -136.22 -135.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 0.712 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.6 m -130.47 19.4 5.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 90.44 5.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 55.39 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.471 HG13 ' CB ' ' A' ' 47' ' ' ASP . 3.3 pt -139.9 178.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.62 117.72 65.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.81 42.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -145.33 53.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -161.87 49.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.92 79.81 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.17 92.52 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.52 -62.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.53 166.83 19.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.471 0.177 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.3 113.95 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -145.12 -60.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 50.24 90.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.18 130.06 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 111.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.65 156.22 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.82 -53.3 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -116.35 172.81 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.41 154.31 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.257 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 11' ' ' VAL . 2.3 m -107.31 111.15 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.04 99.77 7.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.72 8.19 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.77 22.81 8.19 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.532 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 2.6 tt0 -119.05 131.39 55.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -82.71 133.39 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.532 ' CE2' ' HG2' ' A' ' 15' ' ' GLN . 25.9 m-85 -132.57 123.91 27.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -56.15 175.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -76.11 -68.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -48.78 -23.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' ASP . 5.7 m-20 -60.26 100.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.432 HG23 ' CG2' ' A' ' 32' ' ' VAL . 98.8 t -104.27 129.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.572 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 27.0 p90 -128.12 147.71 50.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.476 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.79 100.15 49.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 10.4 mt-10 -130.78 150.61 76.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.3 Cg_endo -74.95 -11.39 21.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -117.87 -3.85 11.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.04 128.39 34.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.476 ' CG2' ' HD2' ' A' ' 24' ' ' LYS . 1.8 pt -111.69 139.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 133.37 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.432 ' CG2' HG23 ' A' ' 22' ' ' VAL . 4.3 p -142.46 141.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 19' ' ' ASP . 3.0 t -96.53 119.09 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -116.55 108.09 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 89.2 m 62.93 23.33 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.76 -1.1 56.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -101.78 114.58 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.359 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.572 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.0 p -94.77 110.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -115.79 131.63 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -99.86 127.82 46.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -128.74 173.43 10.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.616 1.198 . . . . 0.0 109.23 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.97 148.48 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.1 tt -74.42 112.94 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 pt -94.23 106.94 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 122.3 39.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 119.12 16.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -168.45 33.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 9.7 p -168.9 175.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.12 -77.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.73 55.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 46.5 t -48.37 163.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.26 -76.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.6 m -131.1 154.72 82.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.469 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 138.93 23.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.583 1.833 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -156.98 121.17 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.465 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -74.72 121.17 84.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.97 110.64 3.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 39.6 t80 48.28 48.66 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 54.99 116.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 8.0 mm-40 -141.35 -149.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 93.5 m -112.5 -18.07 12.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -112.98 95.72 35.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.11 3.53 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.469 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -133.94 173.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.05 117.41 65.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.86 170.77 19.63 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.425 ' N ' ' O ' ' A' ' 47' ' ' ASP . . . -101.9 75.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.83 -49.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.2 pp -66.73 -50.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.281 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.39 156.06 16.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -135.34 92.44 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.86 173.96 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.0 t -112.22 100.29 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -105.99 99.08 8.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 51.13 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -101.03 -43.54 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.25 161.48 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.71 156.69 43.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.7 74.55 1.0 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m 62.72 157.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.034 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.26 138.38 46.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.7 110.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -127.51 114.15 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 60.49 14.94 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.07 39.43 6.94 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -137.95 130.76 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 0.826 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.63 118.47 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -120.53 148.31 44.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.413 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.3 t-20 -75.16 167.85 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -72.89 -68.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -51.04 -22.29 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.05 100.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.462 HG11 ' CG2' ' A' ' 32' ' ' VAL . 32.8 m -98.75 137.73 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.562 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 21.0 p90 -139.17 143.48 38.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.009 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.461 ' CE ' ' HA ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.25 100.83 42.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 16.1 mm-40 -123.42 151.73 63.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.461 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.01 -11.45 21.47 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 23.5 m -120.27 -1.21 10.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -134.02 128.39 34.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.436 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -113.47 129.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' N ' HD11 ' A' ' 30' ' ' ILE . 1.1 m -111.7 136.28 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.462 ' CG2' HG11 ' A' ' 22' ' ' VAL . 2.5 p -144.36 137.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' ASP . 48.1 t -92.25 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -116.32 119.65 36.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 m 60.64 22.56 12.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.32 1.94 66.26 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 m -106.04 118.27 36.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.562 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 1.8 p -93.12 124.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.423 HD11 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -133.9 152.71 51.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.423 ' N ' HD11 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -118.71 128.57 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -117.19 169.13 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.61 131.31 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' CYS . 56.5 mt -72.3 109.69 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -100.89 107.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -112.76 110.83 21.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -64.79 145.68 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -152.79 89.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.454 ' CG1' ' HA ' ' A' ' 67' ' ' ALA . 57.6 t 66.35 149.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -107.84 -16.04 14.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -41.12 -51.43 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.95 157.09 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.31 -47.13 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 t -83.08 120.77 76.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 146.3 32.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.49 120.26 4.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.5 tt -93.59 120.87 65.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.04 122.17 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PRO . 22.3 t80 36.66 40.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 57.61 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mt-10 -135.23 -139.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' ILE . 27.2 m -122.03 0.83 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.405 ' O ' HG13 ' A' ' 56' ' ' ILE . 78.0 m -123.46 87.64 51.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.22 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -147.56 178.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.197 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.8 t -97.81 117.75 64.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.3 Cg_endo -75.03 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.454 ' HA ' ' CG1' ' A' ' 48' ' ' VAL . . . 68.51 -68.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' PRO . 9.0 p-10 -179.63 56.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.03 178.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.15 61.34 0.78 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -176.82 176.09 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.52 -61.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.174 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.84 147.72 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.41 166.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -77.99 -51.03 10.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 66.66 130.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.65 175.79 5.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.07 93.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.93 80.44 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m 63.34 167.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 0.788 . . . . 0.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.18 133.99 55.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 0.0 108.352 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 2.5 p -100.51 111.25 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -115.43 100.63 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.38 11.72 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.36 26.96 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.5 126.51 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 123.0 28.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -130.52 160.7 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 21' ' ' ASP . 4.1 m-20 -56.1 -175.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -80.69 -60.72 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -82.1 -2.43 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -38.35 155.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.95 142.49 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.416 ' O ' ' O ' ' A' ' 31' ' ' CYS . 32.8 p90 -150.54 143.2 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -109.86 100.19 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.54 2.5 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ARG . 18.3 mm-40 -134.73 154.81 79.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 18.5 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.401 ' CA ' HG13 ' A' ' 43' ' ' ILE . 20.3 m -116.53 -6.94 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -134.05 126.46 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.453 ' CG2' HD11 ' A' ' 43' ' ' ILE . 7.3 pt -117.79 126.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' TRP . 1.5 m -112.04 131.48 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.75 119.37 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 19' ' ' ASP . 40.4 t -68.36 121.61 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 108.322 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.08 118.29 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 97.8 m 55.91 17.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.01 6.81 51.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 m -107.31 126.45 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 0.716 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -80.27 93.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.31 130.28 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 129.65 56.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.41 167.95 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.64 156.89 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.453 HD11 ' CG2' ' A' ' 30' ' ' ILE . 2.4 mm -90.69 108.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 pt -107.22 107.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.17 140.05 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -99.23 116.28 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.7 t0 -164.01 30.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.218 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -102.31 159.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -117.66 -68.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -148.04 49.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.19 167.04 11.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.63 -48.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -79.9 136.41 54.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 153.21 41.3 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -147.06 120.59 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.511 ' CD1' ' HA ' ' A' ' 63' ' ' PRO . 1.7 mp -109.06 101.03 43.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.413 ' HD2' ' HG3' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -75.01 111.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 30.9 t80 40.41 39.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.491 ' HA2' ' CG2' ' A' ' 56' ' ' ILE . . . 56.75 118.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.413 ' HG3' ' HD2' ' A' ' 57' ' ' PRO . 2.1 mt-10 -134.91 -144.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.401 ' SG ' ' C ' ' A' ' 27' ' ' PRO . 67.5 m -115.65 -6.48 12.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.33 88.02 21.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.511 ' HA ' ' CD1' ' A' ' 56' ' ' ILE . 18.2 Cg_endo -74.96 55.8 4.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CG2' ' C ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -151.28 178.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 53' ' ' SER . 2.0 t -97.61 117.94 64.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ASP . . . -74.56 -40.32 61.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.95 77.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.418 HD13 ' N ' ' A' ' 70' ' ' ALA . 2.0 pp -105.92 164.21 12.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.418 ' N ' HD13 ' A' ' 69' ' ' LEU . . . -173.57 166.86 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.41 67.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.46 -60.94 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.484 0.183 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -163.82 -43.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 155.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.03 143.76 48.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -76.72 171.58 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 60.03 164.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.2 62.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.91 -57.37 4.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p -45.6 141.42 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.91 132.15 51.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 11' ' ' VAL . 3.4 m -101.28 111.35 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.1 tm0? -111.56 97.91 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.22 11.81 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.44 25.96 6.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.0 mt-30 -120.0 130.26 54.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.78 128.08 34.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.1 m-85 -138.13 157.41 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.93 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -84.22 -61.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -82.33 -3.7 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.1 p -138.43 141.34 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.498 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 31.6 p90 -143.08 148.16 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 108.047 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 100.36 47.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' ARG . 50.5 mm-40 -143.78 156.2 59.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 Cg_endo -75.09 -8.22 19.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.9 -8.25 11.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.0 125.82 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.43 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.95 131.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.4 ' N ' HD12 ' A' ' 30' ' ' ILE . 74.1 m -120.25 141.32 50.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.9 p -152.19 121.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -69.71 128.42 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.36 94.92 4.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.9 m 61.96 25.45 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' CA ' ' SG ' ' A' ' 33' ' ' CYS . . . 111.12 -19.58 24.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -83.38 110.38 18.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 88.2 t -81.1 97.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.424 HD13 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -98.6 152.46 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.424 ' N ' HD13 ' A' ' 39' ' ' LEU . 82.0 m -136.48 128.09 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.95 166.52 18.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.75 143.5 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.3 tt -62.88 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 pt -103.52 107.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 21.3 p -115.38 114.0 24.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.73 130.96 45.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.58 40.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 p -102.83 145.91 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -134.47 -61.72 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.33 57.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.48 -179.73 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 108.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.6 -47.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 99.4 p -88.32 120.12 70.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.481 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.03 142.75 28.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -157.39 121.56 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.78 113.75 22.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.96 4.44 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.568 1.825 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 21.8 t80 39.95 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.13 90.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -117.37 -171.63 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 95.0 m -105.67 -21.01 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.0 m -108.01 102.24 44.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 108.368 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.468 ' CA ' HD13 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -75.01 55.74 4.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.483 1.78 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.481 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -137.05 174.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -98.02 116.73 65.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.4 Cg_endo -74.93 91.7 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . 66.97 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' PRO . 4.4 t70 -178.53 60.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp 50.86 56.9 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.86 78.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 136.63 3.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -177.9 133.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.531 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -87.0 111.53 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -94.19 166.13 12.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.19 160.15 15.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 154.88 34.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 61.24 114.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.35 163.48 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.22 -60.8 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p -99.74 134.54 42.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.774 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -108.91 126.26 52.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -101.64 111.57 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -124.49 97.87 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.76 5.57 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.64 18.81 10.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.408 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 4.0 mt-30 -114.77 132.91 56.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -82.9 120.05 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.408 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 31.8 m-85 -134.51 157.39 46.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.12 -176.48 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -81.64 -68.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -23.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.81 128.52 36.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.465 ' CG1' HG21 ' A' ' 32' ' ' VAL . 3.1 m -118.92 135.61 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 35.3 p90 -127.39 148.3 50.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 108.01 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 100.16 40.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.396 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -37.13 2.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 4.9 mt-10 -131.95 156.44 80.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.55 20.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 53.7 t -123.0 0.97 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.461 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 11.7 tpp180 -133.68 135.53 44.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.451 ' CD1' ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.76 127.88 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 9.8 m -110.98 141.83 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.281 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 22' ' ' VAL . 7.5 p -146.93 139.69 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.3 t -93.73 102.18 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.1 110.43 20.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m 73.87 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.436 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.43 5.94 88.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.412 1.07 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.33 52.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.1 t -81.1 92.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.1 tp -101.01 129.69 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -112.27 127.88 56.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.49 152.16 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.1 139.11 39.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 15.2 mt -75.45 98.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -88.11 109.77 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 167.06 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -81.69 165.91 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.96 165.83 11.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 2.3 p -164.16 -172.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 50' ' ' ASP . 0.1 OUTLIER -141.79 100.94 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' LYS . 9.0 m-20 39.87 53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 1.6 t -54.27 152.53 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mt -40.72 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.59 120.72 37.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.403 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.91 122.09 7.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -147.27 139.16 24.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.482 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.28 112.75 14.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 55' ' ' GLU . 18.5 Cg_endo -74.94 115.97 4.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 16.4 t80 41.09 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 32.24 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.64 -171.54 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.3 t -106.1 -22.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.86 105.47 53.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 108.249 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.472 ' CD ' HD13 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.06 55.41 3.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.565 1.824 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -124.78 166.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 51' ' ' CYS . 0.0 OUTLIER -97.48 117.62 65.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 108.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -144.8 77.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -177.62 37.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -124.39 137.13 54.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.26 -60.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.04 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.6 81.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.477 0.179 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.21 174.84 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 66.81 83.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -167.12 91.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.85 171.17 13.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.36 125.48 13.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.38 120.82 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.48 -65.32 2.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -88.03 155.24 19.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.83 129.19 54.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -96.55 111.66 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.572 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 5.9 tm0? -123.99 100.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.62 11.14 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.08 26.77 8.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.552 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 30.0 mt-30 -120.25 121.11 37.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.88 114.07 20.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.552 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 62.2 m-85 -117.88 160.75 20.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.47 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -78.17 -64.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ASP . 2.7 ttpp -79.55 -2.62 43.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -36.5 143.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.45 ' CG2' HG22 ' A' ' 32' ' ' VAL . 99.3 t -123.82 138.94 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.572 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.0 p90 -150.65 145.63 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.44 100.71 46.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.55 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.6 mt-10 -124.21 149.81 61.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 -9.47 20.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -117.43 -7.64 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.19 128.97 33.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 12.1 tt -112.53 133.42 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 m -114.32 143.27 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.45 HG22 ' CG2' ' A' ' 22' ' ' VAL . 2.4 p -150.52 121.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 19' ' ' ASP . 35.6 t -74.86 125.91 29.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.47 98.45 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.2 m 61.47 23.65 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.96 -17.23 27.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.423 1.077 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -84.16 111.23 19.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 76.3 t -86.21 93.79 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.419 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -106.07 152.1 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.419 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -124.94 127.83 47.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.314 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -106.43 146.38 30.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.76 155.49 40.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 93.9 mt -111.11 99.11 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 pt -117.72 111.0 32.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.87 171.02 9.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -97.49 166.07 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -169.01 179.53 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.494 ' CG1' ' N ' ' A' ' 49' ' ' LYS . 53.0 t -93.22 -103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.494 ' N ' ' CG1' ' A' ' 48' ' ' VAL . 0.1 OUTLIER -156.57 -86.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.79 88.19 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.15 -178.2 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mt -45.58 -89.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 p -133.96 138.8 31.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.495 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 17.9 Cg_endo -75.1 122.2 7.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.767 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.14 137.89 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.467 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.0 OUTLIER -71.98 113.7 22.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -74.94 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 59' ' ' GLY . 22.6 t80 42.75 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.26 90.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 10.1 mm-40 -121.34 -171.7 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 43.8 t -106.57 -16.9 14.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.1 p -111.55 98.42 40.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' N ' HD12 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 55.35 3.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.495 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -139.96 178.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.4 p -99.16 117.02 64.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -169.8 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.47 ' HB3' ' CG2' ' A' ' 48' ' ' VAL . . . -94.44 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' LEU . 43.5 m-20 -115.34 -44.0 3.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -40.39 159.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.66 88.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.1 50.46 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 11.4 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.497 0.189 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.34 173.95 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -68.46 169.75 10.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.47 114.05 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -39.49 80.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -88.44 135.96 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.91 154.93 42.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.29 -80.89 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.423 ' CB ' ' HG2' ' A' ' 16' ' ' ARG . 73.2 p -106.13 173.86 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -116.31 149.17 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 p -100.57 111.55 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.93 100.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.64 9.96 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.1 26.33 7.91 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.524 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -120.72 126.02 49.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 0.693 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.423 ' HG2' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -82.74 112.45 19.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.524 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.2 m-85 -120.63 129.63 53.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.8 166.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.406 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -72.97 -68.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -48.02 -24.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.84 148.85 51.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG22 ' CG2' ' A' ' 32' ' ' VAL . 85.4 t -137.7 132.78 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.574 ' CH2' HG23 ' A' ' 38' ' ' VAL . 43.9 p90 -121.95 148.8 44.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.48 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.82 99.77 39.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.91 2.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 11.0 mm-40 -133.49 155.42 80.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.25 19.86 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 43.5 t -124.33 1.24 8.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 108.232 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.4 136.5 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.48 ' CG2' ' HD2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -122.77 144.64 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.87 141.5 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' CG2' HG22 ' A' ' 22' ' ' VAL . 1.5 p -145.74 133.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.406 ' O ' ' O ' ' A' ' 19' ' ' ASP . 51.0 t -82.55 116.81 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.281 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.0 t70 -116.82 111.58 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 p 38.08 76.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.15 22.13 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.0 m -138.53 102.91 4.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.432 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.574 HG23 ' CH2' ' A' ' 23' ' ' TRP . 2.3 p -94.72 136.7 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.17 143.8 46.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 127.89 54.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 108.301 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.19 148.01 36.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.2 160.14 31.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.4 mt -107.4 104.17 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.8 pt -85.81 108.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.19 171.05 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.02 166.22 13.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.71 140.53 47.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 65' ' ' CYS . 8.1 p -73.74 168.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.455 ' HB2' ' CB ' ' A' ' 67' ' ' ALA . 0.4 OUTLIER -142.51 -69.79 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.83 65.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.24 176.42 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.322 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -88.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.7 155.2 46.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.475 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.93 134.65 18.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.81 124.28 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -72.05 120.76 82.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -75.04 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 46.0 t80 46.53 49.7 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.51 119.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.419 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 28.1 mm-40 -145.35 -150.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 5.3 t -112.65 -16.2 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.329 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.5 m -116.67 98.21 51.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.475 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.3 pt -135.61 178.23 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 44.3 t -97.63 117.53 65.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.3 Cg_endo -74.94 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 49' ' ' LYS . . . -49.87 95.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.504 ' O ' ' CD1' ' A' ' 69' ' ' LEU . 1.3 t0 172.23 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.504 ' CD1' ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER 39.58 52.5 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.238 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -49.21 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 179.51 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.631 ' N ' ' CD1' ' A' ' 1' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.468 0.175 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . 0.549 HG21 ' CD2' ' A' ' 1' ' ' TYR . 4.0 m -118.12 135.32 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.02 105.27 6.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 49.98 92.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.35 113.95 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -81.37 98.04 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.69 -62.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.11 -79.79 0.68 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.553 1.158 . . . . 0.0 111.056 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.31 135.08 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m -110.4 140.01 45.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 108.341 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -96.88 111.58 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.2 tm0? -124.76 103.0 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.63 13.24 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.68 31.47 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -131.37 127.38 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 116.53 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.3 m-85 -119.09 144.21 46.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -54.56 -170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' CYS . 76.7 m-20 -87.43 -68.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.26 -16.04 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -59.36 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.4 p -110.99 156.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 23.8 p90 -150.08 148.49 29.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 101.35 43.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -141.54 148.66 51.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 52.96 3.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -169.46 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.22 132.78 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.462 HG23 ' CG1' ' A' ' 43' ' ' ILE . 1.1 pp -110.26 160.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.43 136.19 23.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 34' ' ' ASP . 7.7 p -143.85 134.66 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' ASP . 24.7 t -68.7 70.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' VAL . 54.2 t0 -78.89 124.1 27.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.8 m 61.02 27.31 17.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.46 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.8 -6.17 67.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.0 m -101.78 143.97 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.96 91.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -104.65 132.28 51.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.44 129.76 47.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.48 156.57 18.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.96 160.1 28.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.462 ' CG1' HG23 ' A' ' 30' ' ' ILE . 16.1 mt -113.03 118.07 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 pt -85.86 106.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.87 160.58 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -55.69 164.72 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.477 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 11.0 m-20 -137.68 137.11 38.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 51.8 t -157.52 144.4 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -37.61 6.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 170.44 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.422 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 49.5 t 58.56 163.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.599 1.187 . . . . 0.0 108.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' CYS . 10.5 mt -39.65 -86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.25 122.8 33.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.464 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.06 137.49 21.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.63 131.95 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.2 tt -78.89 121.6 83.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.08 121.39 6.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' PRO . 10.6 t80 35.72 40.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 2.5 mm-40 -134.7 -75.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 110.235 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.51 -38.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.0 m -107.36 103.31 48.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.83 5.24 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.464 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -126.3 169.92 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.95 117.99 64.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 176.46 9.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.27 -63.22 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LEU . 2.2 m-20 -156.9 83.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.229 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 68' ' ' ASP . 0.1 OUTLIER 39.66 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.21 111.69 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.29 -60.1 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.48 156.02 26.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.222 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 1' ' ' TYR . 46.9 p90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.466 0.175 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.7 m -135.57 169.7 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -142.67 142.03 31.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -59.2 122.14 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.47 161.03 26.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.36 78.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.63 89.59 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.55 -71.26 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p -57.5 131.45 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 0.72 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.01 120.34 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.428 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 4.5 m -99.39 111.18 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.3 tm0? -110.16 97.96 7.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.36 11.57 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.57 25.15 6.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -119.87 135.09 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -82.9 118.77 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -134.79 153.22 52.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -164.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 9.2 m-20 -88.85 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -64.35 -12.59 43.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.99 112.37 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 14.6 p -99.05 150.98 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 27.3 p90 -144.51 151.61 39.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 101.51 43.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -39.95 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -143.59 149.26 46.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.96 3.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.49 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.4 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -124.39 132.65 53.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.468 HG22 ' CD1' ' A' ' 43' ' ' ILE . 2.0 pp -107.01 153.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 91.5 m -139.8 132.06 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 108.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.6 p -145.81 143.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -78.96 68.57 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 108.235 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.73 129.49 37.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.594 1.184 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 53.9 m 60.2 25.85 15.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' C ' ' SG ' ' A' ' 33' ' ' CYS . . . 83.94 -11.02 58.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -98.13 138.03 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.15 91.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tp -105.91 149.49 26.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 55.9 m -122.9 132.74 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -108.79 162.98 13.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.32 126.92 35.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.49 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 56.3 mt -70.86 99.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 pt -89.16 109.11 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.33 168.59 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -58.33 157.33 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -125.41 178.3 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' A' ' 49' ' ' LYS . 0.5 OUTLIER -159.05 -164.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' A' ' 50' ' ' ASP . 0.5 OUTLIER -125.68 64.81 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 7.0 t0 86.36 -45.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER 60.99 -162.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.323 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 mp -98.11 -58.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -133.78 121.07 15.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.412 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 126.28 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.68 126.47 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.9 OUTLIER -72.05 119.22 73.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.97 121.88 6.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t80 36.4 40.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.71 118.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.21 -76.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.87 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.72 106.06 58.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 108.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.75 6.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -129.8 178.25 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 117.85 64.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -69.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.91 91.34 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt 43.46 62.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 41.87 79.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.58 -59.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.74 150.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.364 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.502 0.191 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.8 t 56.43 96.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.28 96.0 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -133.12 137.4 46.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -177.8 152.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.62 71.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.48 103.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.29 -73.05 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.456 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 14.3 m 62.71 103.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 0.773 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -109.44 159.35 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -103.35 111.71 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -124.5 98.94 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 5.35 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.51 20.48 10.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.08 129.22 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 7.6 tmm_? -82.95 113.07 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.8 m-85 -111.08 144.37 40.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.54 -172.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 33' ' ' CYS . 74.2 m-20 -77.87 -68.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -15.14 30.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.67 103.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.7 p -98.89 145.69 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -145.46 152.9 40.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.62 101.53 43.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.47 146.16 58.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 51.83 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -36.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 108.241 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 131.01 53.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.54 160.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.9 m -146.76 131.18 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 8.0 p -130.88 172.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' O ' ' O ' ' A' ' 19' ' ' ASP . 2.3 t -108.28 66.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.337 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.94 128.62 37.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 92.8 m 51.29 29.02 4.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.7 -13.9 54.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.457 HG22 ' CD2' ' A' ' 39' ' ' LEU . 27.8 m -86.91 132.54 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.76 91.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 37' ' ' THR . 1.2 mm? -102.29 152.01 21.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -118.73 127.71 53.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -110.07 144.2 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.44 126.29 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -74.1 113.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.82 106.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 p -95.13 168.64 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.93 165.98 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.455 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 40.2 p30 -163.7 150.39 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.455 ' CG2' ' O ' ' A' ' 47' ' ' ASP . 37.8 t -157.53 141.55 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' N ' HG11 ' A' ' 48' ' ' VAL . 1.6 mptt -96.99 40.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -144.53 39.83 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.78 166.06 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.66 -86.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p -114.52 141.09 26.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.468 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 137.12 21.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.62 124.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.6 tt -75.15 124.83 89.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.95 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 24.5 t80 35.43 41.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.43 119.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.02 -75.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.47 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 48.4 t -178.57 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 102.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 69.3 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.929 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.468 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -131.54 176.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.44 127.32 36.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -134.78 59.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.98 37.27 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.3 pp -123.46 -48.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 58.99 158.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.04 68.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.52 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.453 0.168 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.22 -33.81 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.58 143.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CD1' ' N ' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -128.65 -51.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.08 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 58.26 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -104.63 149.81 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.64 -60.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.4 -65.85 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -68.64 149.96 48.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.1 m -110.89 157.38 19.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.348 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.45 ' O ' ' CG2' ' A' ' 11' ' ' VAL . 3.1 m -109.65 111.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.87 98.02 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.52 9.95 7.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.11 23.62 7.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm-40 -122.21 139.15 54.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -82.76 122.66 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 34.6 m-85 -133.32 128.53 35.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -52.69 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -86.95 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -50.7 -22.67 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.211 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.43 149.73 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.452 ' CG2' HD12 ' A' ' 30' ' ' ILE . 2.8 p -136.05 141.38 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.43 ' NE1' ' HB2' ' A' ' 31' ' ' CYS . 32.9 p90 -137.22 149.14 46.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.42 101.47 42.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.54 148.42 67.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.2 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -169.52 -37.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 132.22 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.452 HD12 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -108.77 142.09 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.43 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 25.4 m -116.22 132.43 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.406 HG13 ' CD1' ' A' ' 39' ' ' LEU . 3.1 p -133.19 150.03 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.2 t -99.72 105.69 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 108.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.63 106.07 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m 67.89 28.14 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.93 -3.24 87.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -91.57 114.04 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 0.736 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 90.3 t -83.69 91.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -109.15 151.76 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.527 ' N ' ' CD2' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -121.17 137.0 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.4 134.98 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -86.99 133.14 33.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 2.6 tt -78.28 116.9 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -100.96 106.65 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 170.71 8.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.5 166.01 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.9 120.9 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.49 ' CG2' ' O ' ' A' ' 65' ' ' CYS . 11.6 p -46.35 165.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.25 -67.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -154.03 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.0 -174.51 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp -93.69 -68.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 p -125.79 148.97 64.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.459 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 138.64 23.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -155.98 122.66 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.403 HD11 ' CA ' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -78.87 125.5 83.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 59' ' ' GLY . 6.0 t80 35.01 45.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.0 123.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.421 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 1.5 mm-40 -138.04 -74.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 37.2 t 178.73 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 104.47 49.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.403 ' CA ' HD11 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 66.93 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.459 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -140.12 170.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . 0.49 ' O ' ' CG2' ' A' ' 48' ' ' VAL . 13.3 t -97.95 117.89 64.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 174.1 13.37 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.74 69.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.54 -50.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -127.4 170.71 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.29 131.99 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.01 -61.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.69 84.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.435 0.159 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -42.74 154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 58.36 113.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.09 179.04 6.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -125.34 146.65 49.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.08 117.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.26 123.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.78 -61.85 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m -118.62 153.22 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.86 159.03 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.318 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -104.04 111.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.546 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 1.2 tm0? -123.09 97.82 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.0 5.26 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.66 19.77 10.78 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.502 1.126 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.542 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -119.27 128.29 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -82.95 114.56 21.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.542 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 50.0 m-85 -113.44 142.68 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.69 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -68.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.06 -14.92 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.21 114.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.9 m -106.0 150.82 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.546 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 28.6 p90 -145.74 146.86 31.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 101.33 43.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -142.49 149.85 52.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 52.59 3.09 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 48.6 t -169.51 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' N ' HD13 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -123.27 126.84 47.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.44 HG23 ' CD1' ' A' ' 43' ' ' ILE . 1.2 pp -109.17 147.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.439 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -126.91 133.01 50.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 108.281 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.3 p -135.78 149.6 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.22 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.77 65.55 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 108.384 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 127.64 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 50.0 m 56.28 26.79 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.23 -17.14 44.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -87.7 133.82 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 0.811 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.9 t -81.44 91.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mt -99.81 142.5 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.19 127.98 55.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -107.77 159.73 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 121.71 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.473 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 40.0 mt -72.04 99.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 pt -86.94 107.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 p -92.48 170.78 9.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 108.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.55 165.75 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.461 ' CB ' HD12 ' A' ' 64' ' ' ILE . 3.6 p30 -160.94 171.64 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' CG1' ' N ' ' A' ' 49' ' ' LYS . 81.0 t -130.91 -106.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.445 ' N ' ' CG1' ' A' ' 48' ' ' VAL . 8.1 tptt -159.68 -73.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -132.57 71.19 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -164.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 tp -96.94 -66.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.6 m -125.33 128.27 24.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.39 1.056 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -157.74 122.14 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.97 121.93 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.93 122.8 7.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.1 m-85 33.69 40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.15 119.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.62 -76.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -178.32 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.72 106.04 57.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.53 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.461 HD12 ' CB ' ' A' ' 47' ' ' ASP . 1.8 pt -130.9 178.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.63 117.7 65.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 -172.3 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -157.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -116.32 90.68 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.39 106.45 8.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.11 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -148.79 138.95 22.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.01 169.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.508 0.194 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -110.13 99.72 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.38 151.99 12.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.33 156.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -56.94 124.77 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -59.57 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.64 146.97 48.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.379 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -60.39 5.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -51.43 172.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.07 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.6 m -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -96.82 111.66 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 100.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.57 12.58 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.8 28.87 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -131.07 133.96 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.94 124.63 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 52.6 m-85 -129.58 126.48 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.58 172.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -73.73 -68.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -53.49 -20.66 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.44 117.37 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 11.2 p -105.17 152.78 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -145.13 148.24 33.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 101.35 43.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.37 145.9 57.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 51.92 2.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.498 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.72 -36.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.58 132.77 53.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.3 pp -108.78 157.78 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.64 136.47 29.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 9.2 p -135.54 162.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.4 t -100.98 115.97 31.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -116.21 110.89 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 m 57.63 28.91 16.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.75 7.33 71.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.4 HG21 ' CD1' ' A' ' 39' ' ' LEU . 45.4 m -108.21 129.66 55.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.427 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.45 102.68 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.4 ' CD1' HG21 ' A' ' 37' ' ' THR . 1.0 OUTLIER -110.56 130.86 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.98 128.12 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 108.363 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.45 153.67 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.14 160.28 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.498 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 14.7 mt -104.64 112.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -85.56 109.77 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 165.08 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -65.47 164.29 14.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.99 162.13 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.6 p -120.2 152.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -131.44 69.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 53.24 57.8 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -176.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -58.41 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -140.18 136.29 16.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.96 22.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.0 120.84 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.8 tt -74.06 125.12 90.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.02 121.87 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 42.2 t80 35.35 39.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.59 -76.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.8 t -178.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.15 102.25 45.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 71.85 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.56 177.24 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.49 117.95 63.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.83 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -144.24 83.04 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.38 89.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.9 91.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.96 -63.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.13 110.41 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.535 0.207 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.42 -47.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.48 89.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -162.08 149.37 14.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 81.27 -51.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 63.51 151.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.78 171.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.36 -79.66 0.17 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 175.08 149.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.962 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 5.1 m -110.51 141.35 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.2 t -97.02 111.92 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -130.13 98.04 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.16 7.19 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.72 21.42 11.3 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.56 1.162 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.537 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -118.44 120.05 36.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -82.92 106.5 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.537 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 89.9 m-85 -105.76 162.0 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.39 -161.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 33' ' ' CYS . 2.9 t0 -88.64 -68.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -61.91 -14.46 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 127.52 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.449 HG23 ' CG2' ' A' ' 32' ' ' VAL . 92.8 t -114.21 153.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.524 ' CE2' ' HB3' ' A' ' 31' ' ' CYS . 35.1 p90 -141.05 152.76 45.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 108.045 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.29 100.99 40.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.444 1.76 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -144.11 153.23 56.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.41 1.069 . . . . 0.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' GLU . 18.1 Cg_endo -75.03 54.52 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.24 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.45 134.13 53.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.425 ' CG2' ' HD2' ' A' ' 24' ' ' LYS . 1.1 pt -113.95 148.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.524 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 1.2 m -127.22 147.42 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.449 ' CG2' HG23 ' A' ' 22' ' ' VAL . 2.0 p -155.0 129.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASP . 26.2 t -69.84 67.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 108.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' VAL . 24.4 t70 -76.78 124.88 28.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 86.5 m 61.98 26.95 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.457 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.83 -5.76 64.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 m -103.14 140.69 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.379 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.5 t -81.81 91.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.1 124.67 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -100.14 128.24 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.368 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.23 161.61 14.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.76 135.93 34.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 48.8 mt -74.27 98.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 pt -90.9 110.64 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.94 116.72 32.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.68 161.5 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -124.33 177.59 5.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.511 ' CG1' ' HB3' ' A' ' 51' ' ' CYS . 0.3 OUTLIER -168.14 173.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 51' ' ' CYS . 8.9 mttt -126.87 -44.09 1.66 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -42.06 -28.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.511 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -57.33 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 108.289 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -111.5 -59.0 2.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -142.11 150.59 56.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.492 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 136.04 19.8 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -155.67 138.72 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.37 114.04 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.02 120.63 6.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.772 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 28.9 t80 35.19 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.02 120.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' PRO . 1.3 mm-40 -135.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 t 179.76 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 108.359 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.78 119.16 29.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 73.09 4.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.492 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -130.01 169.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -97.4 117.66 65.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -177.57 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -123.82 46.85 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -105.24 -38.61 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 3.3 pp -120.3 127.59 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 172.61 168.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 56.02 100.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.22 106.38 16.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.454 0.168 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.82 135.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -174.29 100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -145.8 130.43 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.78 161.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.54 130.65 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.11 102.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.26 75.95 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.02 170.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.766 . . . . 0.0 110.06 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 m -110.2 141.78 42.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.6 t -99.6 111.87 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.0 101.61 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.47 7.95 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.18 24.88 9.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 3.2 mm100 -120.34 119.64 33.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -82.91 120.86 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 82.3 m-85 -120.91 142.06 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -52.07 -176.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -68.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.1 -13.6 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 104.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 1.199 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.433 HG23 ' CG2' ' A' ' 32' ' ' VAL . 57.3 t -98.87 138.81 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CZ2' HG23 ' A' ' 38' ' ' VAL . 21.7 p90 -143.54 147.52 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' CG ' HG23 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.89 101.34 43.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.423 1.749 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -129.76 145.89 58.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.425 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.08 51.92 2.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.504 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.97 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' NE ' ' HA ' ' A' ' 42' ' ' ASP . 0.0 OUTLIER -124.12 131.61 53.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.464 HG21 ' CD1' ' A' ' 43' ' ' ILE . 1.2 pt -115.62 131.81 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.23 138.1 41.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.433 ' CG2' HG23 ' A' ' 22' ' ' VAL . 1.7 p -138.58 129.46 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.57 61.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -73.04 124.16 24.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.228 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 24.7 m 61.63 28.59 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.365 1.041 . . . . 0.0 110.426 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.47 71.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -104.93 129.48 53.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG23 ' CZ2' ' A' ' 23' ' ' TRP . 2.2 p -92.0 101.63 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -112.54 142.1 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.6 128.41 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.06 162.81 16.5 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 6.1 m-20 -74.56 134.88 42.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 98.3 mt -85.16 101.43 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.0 108.23 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.26 146.17 27.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -91.47 140.69 29.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.515 ' CG ' ' CD1' ' A' ' 64' ' ' ILE . 13.0 p30 175.73 -176.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.6 t -135.09 145.81 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.11 45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.89 52.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 t -119.7 168.67 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 108.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p -111.24 137.27 20.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 139.43 24.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -158.66 124.91 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 63' ' ' PRO . 1.2 tt -78.07 123.85 86.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.03 118.53 5.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 11.0 t80 35.7 43.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.27 121.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -136.42 -76.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.346 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -178.96 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 108.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.408 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -106.03 104.14 48.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.316 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.422 ' N ' HD13 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 64.75 6.09 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.515 ' CD1' ' CG ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -135.83 168.81 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.85 121.78 56.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.81 8.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.51 -51.56 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' ALA . 13.6 p30 169.84 79.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt 63.59 -80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -162.47 111.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.06 177.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.8 119.24 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.528 0.204 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 p -176.1 -39.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 122.9 7.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -80.76 138.08 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.73 143.41 55.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.79 104.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.19 115.84 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.63 -54.32 0.74 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 150.54 47.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 135.53 51.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.366 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.71 111.73 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tm0? -123.45 97.82 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.67 8.66 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.89 21.23 9.78 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.28 130.39 55.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 0.806 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.07 109.21 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -113.17 161.32 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.49 -169.8 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -86.71 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -62.57 -14.25 40.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.91 124.49 20.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.51 ' CG2' ' CD1' ' A' ' 30' ' ' ILE . 6.1 p -110.04 148.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.2 p90 -149.86 146.71 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 100.79 42.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.417 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.35 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -135.75 147.72 62.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -74.95 52.76 3.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.465 ' CA ' HD13 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.79 -36.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.84 131.98 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.51 ' CD1' ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.14 137.95 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 1.3 m -113.87 136.82 52.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.99 126.0 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 15.2 t -70.33 70.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.269 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.58 124.47 27.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m 58.24 26.08 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.1 -18.3 41.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -86.12 126.06 33.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.573 0.808 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.27 93.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.499 ' CD1' ' C ' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -108.92 149.48 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.441 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 0.1 OUTLIER -114.73 128.82 56.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.0 t70 -105.46 165.34 11.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 p30 -88.31 127.1 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.465 HD13 ' CA ' ' A' ' 28' ' ' CYS . 62.8 mt -70.83 98.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.3 pt -86.32 109.97 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.0 155.55 20.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.79 165.74 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.469 ' CG1' ' HB2' ' A' ' 50' ' ' ASP . 70.2 t -142.88 111.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -16.14 55.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.2 m-20 -53.65 -32.29 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.36 -153.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 108.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -65.55 0.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -90.25 120.66 69.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.471 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.0 143.79 29.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' ILE . 5.6 tt0 -158.97 125.7 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.42 HD13 ' N ' ' A' ' 63' ' ' PRO . 1.3 tt -84.31 124.42 73.87 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 59' ' ' GLY . 22.5 t80 35.2 43.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.63 121.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' PRO . 1.6 mm-40 -135.79 -75.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.6 t -179.32 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 108.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.95 101.04 42.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.42 ' N ' HD13 ' A' ' 56' ' ' ILE . 18.4 Cg_endo -74.98 65.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.471 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.7 pt -135.15 177.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.72 117.51 65.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.27 6.24 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.762 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.466 ' CA ' HG22 ' A' ' 48' ' ' VAL . . . -53.73 -58.0 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 174.8 85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.03 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 160.64 12.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.29 112.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.78 175.38 6.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.504 0.192 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.31 140.97 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -171.76 120.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.222 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -147.43 107.83 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -163.82 156.46 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.05 153.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.59 91.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.61 -61.01 0.54 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -76.92 116.88 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 1.2 m -115.54 136.6 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.8 t -98.87 111.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.6 tm0? -129.09 98.47 4.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.88 5.64 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.35 20.48 11.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.81 122.97 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -82.89 123.89 29.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 80.3 m-85 -128.28 147.95 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -87.84 -63.12 1.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 -9.82 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -59.45 112.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG22 ' CG2' ' A' ' 32' ' ' VAL . 59.8 t -99.98 142.67 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 34.6 p90 -133.7 149.53 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' HD2' ' CG2' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.33 100.71 42.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -139.71 150.83 64.41 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.474 1.776 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . 0.493 ' C ' ' CD1' ' A' ' 43' ' ' ILE . 44.4 t -169.53 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -122.72 131.79 53.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ILE . . . . . 0.431 HG23 ' CD1' ' A' ' 43' ' ' ILE . 1.3 pt -112.09 154.02 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -139.5 146.28 39.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.3 p -153.01 147.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.7 t -81.4 64.78 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 108.335 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.7 121.52 19.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m 60.28 26.12 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.3 54.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.68 142.26 27.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 85.5 t -85.85 91.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.04 130.14 51.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.05 128.01 46.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.44 149.81 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -74.53 160.05 31.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.493 ' CD1' ' C ' ' A' ' 28' ' ' CYS . 40.1 mt -114.77 116.86 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 pt -85.82 106.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 46' ' ' GLU . 9.6 t -89.76 162.12 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 17.2 mp0 -61.06 166.19 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.3 p-10 -109.61 -166.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.8 t 68.65 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -114.01 44.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -149.46 41.68 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 t -97.28 156.84 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mt -40.35 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -120.26 120.82 29.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.456 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.95 133.97 17.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -150.5 131.24 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -71.59 119.25 72.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.99 121.84 6.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.5 m-85 33.56 42.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.78 120.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.638 1.211 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.77 -74.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.268 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.3 t -179.49 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.31 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 12.6 p -115.58 113.12 42.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.79 3.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.571 1.827 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.456 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -132.79 161.45 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 137.15 20.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 108.368 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.68 5.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -166.94 97.53 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -139.11 -47.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.62 112.11 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.17 158.58 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.63 169.12 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.56 164.22 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG23 ' A' ' 38' ' ' VAL . 15.0 m -120.1 135.01 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.207 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.17 111.79 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.3 tm0? -121.01 97.93 5.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 70.43 7.61 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.47 21.9 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 53.1 mt-30 -114.83 123.48 49.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 111.02 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.6 m-85 -118.58 160.16 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.492 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 10.3 t30 -78.45 164.76 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -71.72 -57.18 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 4.0 tttt -60.31 -21.86 62.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.68 150.62 40.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 32' ' ' VAL . 53.9 t -132.5 133.54 59.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.78 ' HH2' HG22 ' A' ' 38' ' ' VAL . 30.2 p90 -129.67 142.68 50.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.01 100.07 41.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.9 mt-10 -129.54 144.81 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.8 Cg_endo -74.9 -1.61 11.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.663 ' CA ' HD12 ' A' ' 43' ' ' ILE . 84.4 m -115.91 -19.21 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 108.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.3 133.48 38.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.42 151.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.18 148.12 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.329 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.5 p -152.97 143.06 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.5 t -92.58 65.76 4.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 108.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.05 125.18 28.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' THR . 96.4 m 65.18 28.06 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.33 77.9 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.1 m -109.38 136.29 49.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' HH2' ' A' ' 23' ' ' TRP . 57.6 t -81.32 93.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -96.33 118.4 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 127.98 53.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.04 147.55 50.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.63 157.84 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.663 HD12 ' CA ' ' A' ' 28' ' ' CYS . 47.5 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 133.64 16.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -149.61 135.42 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -92.76 121.26 66.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.64 3.6 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.6 t80 56.26 -95.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.567 ' N ' ' CG ' ' A' ' 58' ' ' PHE . . . -145.58 101.32 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mm-40 -128.58 -147.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 27' ' ' PRO . 28.8 m -138.23 17.32 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.406 1.066 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 89.02 20.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.5 Cg_endo -74.89 56.42 4.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -142.85 178.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.2 p -97.07 117.75 65.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.3 m -111.25 145.15 39.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 11' ' ' VAL . 2.0 p -100.17 111.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 2.3 tm0? -113.24 98.01 6.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.86 9.0 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.27 23.3 8.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 18.7 mm-40 -116.01 125.53 52.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 110.38 17.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.5 m-85 -120.96 142.15 50.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -170.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -83.25 -68.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.21 -15.83 27.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.33 121.32 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 32' ' ' VAL . 21.4 t -107.98 145.72 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 37.1 p90 -134.34 149.76 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.72 100.81 40.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.378 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.78 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.813 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -142.73 152.14 58.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.811 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.844 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.22 -36.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.341 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.05 132.17 53.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 43' ' ' ILE . 2.8 pt -113.43 147.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -128.81 147.13 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 108.392 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' CG2' HG22 ' A' ' 22' ' ' VAL . 3.7 p -151.23 155.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.1 t -96.27 69.03 2.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.57 122.3 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m 63.92 28.69 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.77 62.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.7 m -105.99 136.94 44.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 0.73 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.92 92.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -101.47 123.55 45.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -100.22 129.42 46.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 108.266 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 6.3 t70 -104.87 164.87 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 21.0 t0 -95.0 137.44 34.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 28' ' ' CYS . 59.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.98 137.8 22.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.387 1.73 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -158.5 120.76 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -74.75 125.54 89.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.01 117.61 4.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 53.2 t80 36.31 44.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.11 121.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 4.9 mm-40 -137.55 -77.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 0.805 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' N ' HD11 ' A' ' 56' ' ' ILE . 15.3 t -178.28 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 104.02 48.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.372 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 67.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.1 pt -135.85 174.29 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 117.79 64.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.332 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.05 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -110.63 140.88 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.0 111.73 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' HG3' ' NE1' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -124.57 101.59 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.86 13.14 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.3 7.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 2.4 mm-40 -128.3 127.27 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 27.8 ptt180 -82.84 121.85 27.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 53.4 m-85 -128.24 142.15 51.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.8 -177.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -79.1 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -57.29 -18.14 15.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 126.28 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.4 t -114.11 134.44 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.502 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 26.5 p90 -133.07 140.59 47.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 99.92 41.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.74 2.39 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ARG . 74.0 mt-10 -136.02 147.47 60.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.687 ' C ' HD12 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -114.31 -22.18 10.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 tpp180 -134.8 133.54 39.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.49 139.71 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -121.54 149.5 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.1 p -157.31 138.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 43.0 t -83.27 70.04 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 125.6 30.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 35' ' ' THR . 24.9 m 63.32 25.23 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.45 -8.95 62.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.423 1.077 . . . . 0.0 111.04 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -99.85 142.01 31.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.502 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 59.7 t -83.72 92.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.94 123.72 46.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.78 127.91 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -114.83 174.0 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.22 133.34 34.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.687 HD12 ' C ' ' A' ' 27' ' ' PRO . 48.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.02 138.12 22.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -155.63 119.99 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 tt -80.96 122.5 81.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.2 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PRO . 20.6 t80 36.85 43.8 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.75 113.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 2.8 mt-10 -136.22 -135.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 0.712 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.6 m -130.47 19.4 5.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 90.44 5.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 55.39 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 3.3 pt -139.9 178.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.62 117.72 65.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.945 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.41 154.31 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.257 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 11' ' ' VAL . 2.3 m -107.31 111.15 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.04 99.77 7.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.72 8.19 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.77 22.81 8.19 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 2.6 tt0 -119.05 131.39 55.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -82.71 133.39 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 15' ' ' GLN . 25.9 m-85 -132.57 123.91 27.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -56.15 175.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -76.11 -68.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.5 tmtt? -48.78 -23.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' ASP . 5.7 m-20 -60.26 100.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 32' ' ' VAL . 98.8 t -104.27 129.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 27.0 p90 -128.12 147.71 50.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.575 ' CD ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.79 100.15 49.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 10.4 mt-10 -130.78 150.61 76.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.3 Cg_endo -74.95 -11.39 21.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -117.87 -3.85 11.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.04 128.39 34.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD ' ' A' ' 24' ' ' LYS . 1.8 pt -111.69 139.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 133.37 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 1.001 HG23 HG22 ' A' ' 22' ' ' VAL . 4.3 p -142.46 141.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 19' ' ' ASP . 3.0 t -96.53 119.09 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -116.55 108.09 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' THR . 89.2 m 62.93 23.33 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.76 -1.1 56.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -101.78 114.58 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.359 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 2.0 p -94.77 110.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -115.79 131.63 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.86 127.82 46.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -128.74 173.43 10.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.616 1.198 . . . . 0.0 109.23 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.97 148.48 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 138.93 23.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.583 1.833 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -156.98 121.17 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -74.72 121.17 84.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.97 110.64 3.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 39.6 t80 48.28 48.66 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 54.99 116.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 8.0 mm-40 -141.35 -149.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 93.5 m -112.5 -18.07 12.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -112.98 95.72 35.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.11 3.53 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -133.94 173.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.05 117.41 65.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.26 138.38 46.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.7 110.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -127.51 114.15 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 60.49 14.94 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.07 39.43 6.94 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -137.95 130.76 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 0.826 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.63 118.47 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -120.53 148.31 44.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.3 t-20 -75.16 167.85 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -72.89 -68.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.04 -22.29 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.05 100.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.833 HG12 HG23 ' A' ' 32' ' ' VAL . 32.8 m -98.75 137.73 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 21.0 p90 -139.17 143.48 38.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.009 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' CE ' ' HA ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.25 100.83 42.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 16.1 mm-40 -123.42 151.73 63.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.01 -11.45 21.47 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 23.5 m -120.27 -1.21 10.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -134.02 128.39 34.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.878 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -113.47 129.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.878 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.1 m -111.7 136.28 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 22' ' ' VAL . 2.5 p -144.36 137.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' ASP . 48.1 t -92.25 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -116.32 119.65 36.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 m 60.64 22.56 12.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.32 1.94 66.26 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 m -106.04 118.27 36.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 1.8 p -93.12 124.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -133.9 152.71 51.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -118.71 128.57 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' OD1' HD11 ' A' ' 39' ' ' LEU . 2.8 m-20 -117.19 169.13 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.61 131.31 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' CYS . 56.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 146.3 32.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.49 120.26 4.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.5 tt -93.59 120.87 65.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.04 122.17 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PRO . 22.3 t80 36.66 40.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.61 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mt-10 -135.23 -139.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' ILE . 27.2 m -122.03 0.83 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 56' ' ' ILE . 78.0 m -123.46 87.64 51.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.22 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.56 178.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.197 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.8 t -97.81 117.75 64.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.18 133.99 55.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 0.0 108.352 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 11' ' ' VAL . 2.5 p -100.51 111.25 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -115.43 100.63 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.38 11.72 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.36 26.96 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.5 126.51 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 123.0 28.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -130.52 160.7 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 21' ' ' ASP . 4.1 m-20 -56.1 -175.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -80.69 -60.72 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -82.1 -2.43 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -38.35 155.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.95 142.49 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.462 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 32.8 p90 -150.54 143.2 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -109.86 100.19 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.54 2.5 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ARG . 18.3 mm-40 -134.73 154.81 79.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 18.5 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 43' ' ' ILE . 20.3 m -116.53 -6.94 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -134.05 126.46 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 43' ' ' ILE . 7.3 pt -117.79 126.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' TRP . 1.5 m -112.04 131.48 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.75 119.37 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 19' ' ' ASP . 40.4 t -68.36 121.61 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 108.322 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.08 118.29 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 35' ' ' THR . 97.8 m 55.91 17.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.01 6.81 51.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 m -107.31 126.45 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 0.716 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 46.6 t -80.27 93.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.31 130.28 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 129.65 56.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.41 167.95 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.64 156.89 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' A' ' 61' ' ' CYS . 2.4 mm . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.07 153.21 41.3 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' C ' HD12 ' A' ' 56' ' ' ILE . 3.5 tt0 -147.06 120.59 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CA ' ' A' ' 63' ' ' PRO . 1.7 mp -109.06 101.03 43.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD2' ' HG3' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -75.01 111.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 30.9 t80 40.41 39.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.584 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 56.75 118.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HD2' ' A' ' 57' ' ' PRO . 2.1 mt-10 -134.91 -144.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HG21 ' A' ' 43' ' ' ILE . 67.5 m -115.65 -6.48 12.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.33 88.02 21.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CA ' HD11 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -74.96 55.8 4.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CG2' ' C ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -151.28 178.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 53' ' ' SER . 2.0 t -97.61 117.94 64.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.91 132.15 51.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 11' ' ' VAL . 3.4 m -101.28 111.35 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.1 tm0? -111.56 97.91 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.22 11.81 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.44 25.96 6.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.0 mt-30 -120.0 130.26 54.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.78 128.08 34.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.1 m-85 -138.13 157.41 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.93 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -84.22 -61.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -82.33 -3.7 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.733 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.1 p -138.43 141.34 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 31.6 p90 -143.08 148.16 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 108.047 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 100.36 47.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' ARG . 50.5 mm-40 -143.78 156.2 59.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 Cg_endo -75.09 -8.22 19.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.9 -8.25 11.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.0 125.82 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.853 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -116.95 131.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 30' ' ' ILE . 74.1 m -120.25 141.32 50.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.733 ' HB ' HG23 ' A' ' 22' ' ' VAL . 2.9 p -152.19 121.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -69.71 128.42 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.36 94.92 4.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' THR . 23.9 m 61.96 25.45 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' CA ' ' SG ' ' A' ' 33' ' ' CYS . . . 111.12 -19.58 24.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -83.38 110.38 18.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 88.2 t -81.1 97.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -98.6 152.46 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.622 ' N ' HD12 ' A' ' 39' ' ' LEU . 82.0 m -136.48 128.09 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.95 166.52 18.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.75 143.5 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 1.3 tt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.03 142.75 28.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -157.39 121.56 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.881 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -71.78 113.75 22.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.96 4.44 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.568 1.825 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 21.8 t80 39.95 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.13 90.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -117.37 -171.63 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 95.0 m -105.67 -21.01 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.0 m -108.01 102.24 44.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 108.368 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.881 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -75.01 55.74 4.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.483 1.78 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -137.05 174.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -98.02 116.73 65.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 111.057 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -108.91 126.26 52.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -101.64 111.57 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -124.49 97.87 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.76 5.57 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.64 18.81 10.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 4.0 mt-30 -114.77 132.91 56.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -82.9 120.05 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 31.8 m-85 -134.51 157.39 46.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.12 -176.48 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -81.64 -68.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -23.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.81 128.52 36.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 32' ' ' VAL . 3.1 m -118.92 135.61 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.799 ' HH2' HG22 ' A' ' 38' ' ' VAL . 35.3 p90 -127.39 148.3 50.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 108.01 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 100.16 40.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.396 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -37.13 2.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 4.9 mt-10 -131.95 156.44 80.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.55 20.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 43' ' ' ILE . 53.7 t -123.0 0.97 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 11.7 tpp180 -133.68 135.53 44.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.715 HD13 ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.76 127.88 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 30' ' ' ILE . 9.8 m -110.98 141.83 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -146.93 139.69 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.3 t -93.73 102.18 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.1 110.43 20.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m 73.87 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.436 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.43 5.94 88.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.412 1.07 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.33 52.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.799 HG22 ' HH2' ' A' ' 23' ' ' TRP . 39.1 t -81.1 92.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 40' ' ' CYS . 3.1 tp -101.01 129.69 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.76 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -112.27 127.88 56.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.49 152.16 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.1 139.11 39.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 28' ' ' CYS . 15.2 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.91 122.09 7.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -147.27 139.16 24.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.28 112.75 14.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 55' ' ' GLU . 18.5 Cg_endo -74.94 115.97 4.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 16.4 t80 41.09 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 32.24 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.64 -171.54 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.3 t -106.1 -22.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.86 105.47 53.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 108.249 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.06 55.41 3.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.565 1.824 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -124.78 166.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 117.62 65.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.006 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.83 129.19 54.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -96.55 111.66 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 5.9 tm0? -123.99 100.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.62 11.14 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.08 26.77 8.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.2 mt-30 -120.25 121.11 37.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.88 114.07 20.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 62.2 m-85 -117.88 160.75 20.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.47 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -78.17 -64.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ASP . 2.7 ttpp -79.55 -2.62 43.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -36.5 143.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 32' ' ' VAL . 99.3 t -123.82 138.94 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.0 p90 -150.65 145.63 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -110.44 100.71 46.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.55 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.6 mt-10 -124.21 149.81 61.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.93 -9.47 20.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.525 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -117.43 -7.64 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.19 128.97 33.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.1 tt -112.53 133.42 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 m -114.32 143.27 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 22' ' ' VAL . 2.4 p -150.52 121.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 19' ' ' ASP . 35.6 t -74.86 125.91 29.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.47 98.45 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 35' ' ' THR . 53.2 m 61.47 23.65 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.96 -17.23 27.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.423 1.077 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -84.16 111.23 19.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HH2' ' A' ' 23' ' ' TRP . 76.3 t -86.21 93.79 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -106.07 152.1 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.663 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -124.94 127.83 47.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.314 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -106.43 146.38 30.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.76 155.49 40.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 61' ' ' CYS . 93.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.511 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 17.9 Cg_endo -75.1 122.2 7.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.767 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.14 137.89 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.98 113.7 22.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -74.94 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 59' ' ' GLY . 22.6 t80 42.75 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.26 90.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 10.1 mm-40 -121.34 -171.7 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.557 ' HB3' HG22 ' A' ' 43' ' ' ILE . 43.8 t -106.57 -16.9 14.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.1 p -111.55 98.42 40.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.967 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 55.35 3.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -139.96 178.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' CYS . . . . . 0.4 ' N ' ' HA ' ' A' ' 54' ' ' PRO . 1.4 p -99.16 117.02 64.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 111.004 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.424 ' CB ' ' HG2' ' A' ' 16' ' ' ARG . 73.2 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -116.31 149.17 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 p -100.57 111.55 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.93 100.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.64 9.96 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.1 26.33 7.91 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.526 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -120.72 126.02 49.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 0.693 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -82.74 112.45 19.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.2 m-85 -120.63 129.63 53.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.8 166.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -72.97 -68.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -48.02 -24.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.84 148.85 51.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 32' ' ' VAL . 85.4 t -137.7 132.78 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.756 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 43.9 p90 -121.95 148.8 44.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.945 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.82 99.77 39.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.91 2.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 11.0 mm-40 -133.49 155.42 80.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.25 19.86 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' C ' HD12 ' A' ' 43' ' ' ILE . 43.5 t -124.33 1.24 8.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 108.232 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.4 136.5 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' HD2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -122.77 144.64 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.87 141.5 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 22' ' ' VAL . 1.5 p -145.74 133.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 51.0 t -82.55 116.81 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.281 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.0 t70 -116.82 111.58 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 p 38.08 76.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.15 22.13 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.0 m -138.53 102.91 4.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.432 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.3 p -94.72 136.7 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.17 143.8 46.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.75 127.89 54.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 108.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.19 148.01 36.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.2 160.14 31.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 28' ' ' CYS . 73.4 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.93 134.65 18.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.81 124.28 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -72.05 120.76 82.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -75.04 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 46.0 t80 46.53 49.7 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.51 119.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 28.1 mm-40 -145.35 -150.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB3' HG22 ' A' ' 43' ' ' ILE . 5.3 t -112.65 -16.2 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.5 m -116.67 98.21 51.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.484 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.3 pt -135.61 178.23 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.63 117.53 65.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m -110.4 140.01 45.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 108.341 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -96.88 111.58 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.2 tm0? -124.76 103.0 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.63 13.24 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.68 31.47 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -131.37 127.38 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 116.53 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.3 m-85 -119.09 144.21 46.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -54.56 -170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' CYS . 76.7 m-20 -87.43 -68.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.26 -16.04 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -59.36 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.639 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.4 p -110.99 156.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 23.8 p90 -150.08 148.49 29.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 101.35 43.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -141.54 148.66 51.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 52.96 3.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.46 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.22 132.78 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 43' ' ' ILE . 1.1 pp -110.26 160.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.43 136.19 23.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' ASP . 7.7 p -143.85 134.66 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' ASP . 24.7 t -68.7 70.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' VAL . 54.2 t0 -78.89 124.1 27.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 35' ' ' THR . 53.8 m 61.02 27.31 17.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.8 -6.17 67.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.0 m -101.78 143.97 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.96 91.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -104.65 132.28 51.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -101.44 129.76 47.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.48 156.57 18.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.96 160.1 28.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 28' ' ' CYS . 16.1 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.06 137.49 21.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.63 131.95 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG23 ' HA2' ' A' ' 59' ' ' GLY . 1.2 tt -78.89 121.6 83.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.08 121.39 6.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' PRO . 10.6 t80 35.72 40.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 2.5 mm-40 -134.7 -75.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 110.235 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.51 -38.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.0 m -107.36 103.31 48.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.83 5.24 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -126.3 169.92 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.95 117.99 64.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.01 120.34 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 11' ' ' VAL . 4.5 m -99.39 111.18 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.3 tm0? -110.16 97.96 7.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.36 11.57 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.57 25.15 6.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -119.87 135.09 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -82.9 118.77 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -134.79 153.22 52.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -164.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 9.2 m-20 -88.85 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -64.35 -12.59 43.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.99 112.37 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.6 p -99.05 150.98 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 27.3 p90 -144.51 151.61 39.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 101.51 43.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -39.95 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -143.59 149.26 46.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.96 3.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.798 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.4 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -124.39 132.65 53.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG12 ' A' ' 43' ' ' ILE . 2.0 pp -107.01 153.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 91.5 m -139.8 132.06 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 108.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.728 ' HB ' HG23 ' A' ' 22' ' ' VAL . 7.6 p -145.81 143.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -78.96 68.57 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 108.235 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.73 129.49 37.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.594 1.184 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 53.9 m 60.2 25.85 15.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.4 ' C ' ' SG ' ' A' ' 33' ' ' CYS . . . 83.94 -11.02 58.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -98.13 138.03 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.15 91.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tp -105.91 149.49 26.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 55.9 m -122.9 132.74 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -108.79 162.98 13.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.32 126.92 35.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 28' ' ' CYS . 56.3 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 126.28 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.68 126.47 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.44 HG23 ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -72.05 119.22 73.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.97 121.88 6.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t80 36.4 40.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.71 118.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.21 -76.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.87 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.72 106.06 58.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 108.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.75 6.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -129.8 178.25 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 117.85 64.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 14.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -109.44 159.35 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -103.35 111.71 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -124.5 98.94 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 5.35 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.51 20.48 10.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.08 129.22 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 7.6 tmm_? -82.95 113.07 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.8 m-85 -111.08 144.37 40.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.54 -172.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 33' ' ' CYS . 74.2 m-20 -77.87 -68.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -15.14 30.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.67 103.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.7 p -98.89 145.69 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -145.46 152.9 40.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.62 101.53 43.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.47 146.16 58.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 51.83 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -36.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 108.241 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 131.01 53.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.54 160.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.9 m -146.76 131.18 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 33' ' ' CYS . 8.0 p -130.88 172.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.58 ' H ' HG22 ' A' ' 32' ' ' VAL . 2.3 t -108.28 66.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.337 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.94 128.62 37.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 35' ' ' THR . 92.8 m 51.29 29.02 4.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.7 -13.9 54.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' ASP . 27.8 m -86.91 132.54 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.76 91.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 39' ' ' LEU . 1.2 mm? -102.29 152.01 21.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -118.73 127.71 53.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -110.07 144.2 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.44 126.29 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 137.12 21.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.62 124.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -75.15 124.83 89.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.95 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 24.5 t80 35.43 41.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.43 119.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.02 -75.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.47 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 48.4 t -178.57 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 102.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HA ' ' CB ' ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 69.3 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -131.54 176.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.44 127.32 36.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.077 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.1 m -110.89 157.38 19.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.348 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 11' ' ' VAL . 3.1 m -109.65 111.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.87 98.02 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.52 9.95 7.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.11 23.62 7.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm-40 -122.21 139.15 54.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -82.76 122.66 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 34.6 m-85 -133.32 128.53 35.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -52.69 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -86.95 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -50.7 -22.67 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.211 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.43 149.73 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 30' ' ' ILE . 2.8 p -136.05 141.38 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.485 ' HZ2' HG13 ' A' ' 38' ' ' VAL . 32.9 p90 -137.22 149.14 46.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.42 101.47 42.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.54 148.42 67.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.2 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -169.52 -37.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 132.22 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -108.77 142.09 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' HD13 ' A' ' 30' ' ' ILE . 25.4 m -116.22 132.43 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 39' ' ' LEU . 3.1 p -133.19 150.03 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.2 t -99.72 105.69 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 108.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.63 106.07 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m 67.89 28.14 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.93 -3.24 87.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -91.57 114.04 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 0.736 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG13 ' HZ2' ' A' ' 23' ' ' TRP . 90.3 t -83.69 91.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.997 HD22 ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -109.15 151.76 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.997 ' N ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -121.17 137.0 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.4 134.98 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -86.99 133.14 33.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 2.6 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 138.64 23.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -155.98 122.66 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.67 HD12 ' CA ' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -78.87 125.5 83.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 59' ' ' GLY . 6.0 t80 35.01 45.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.0 123.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 1.5 mm-40 -138.04 -74.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 37.2 t 178.73 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 104.47 49.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.67 ' CA ' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 66.93 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -140.12 170.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.3 t -97.95 117.89 64.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.358 1.073 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' SG ' HG22 ' A' ' 38' ' ' VAL . 1.4 p -110.86 159.03 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -104.04 111.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 1.2 tm0? -123.09 97.82 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.0 5.26 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.66 19.77 10.78 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.502 1.126 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -119.27 128.29 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -82.95 114.56 21.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 50.0 m-85 -113.44 142.68 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.69 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -68.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.663 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -62.06 -14.92 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.21 114.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 20' ' ' LYS . 5.9 m -106.0 150.82 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 28.6 p90 -145.74 146.86 31.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 101.33 43.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -142.49 149.85 52.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 52.59 3.09 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 43' ' ' ILE . 48.6 t -169.51 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.27 126.84 47.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.939 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pp -109.17 147.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -126.91 133.01 50.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 108.281 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 22' ' ' VAL . 7.3 p -135.78 149.6 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.22 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.77 65.55 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 108.384 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 127.64 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 35' ' ' THR . 50.0 m 56.28 26.79 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.23 -17.14 44.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -87.7 133.82 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 0.811 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 95.9 t -81.44 91.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 39' ' ' LEU . 4.3 mt -99.81 142.5 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.19 127.98 55.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -107.77 159.73 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 121.71 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.939 HD11 HG23 ' A' ' 30' ' ' ILE . 40.0 mt . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -157.74 122.14 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.97 121.93 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.93 122.8 7.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.1 m-85 33.69 40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.15 119.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.62 -76.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -178.32 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.72 106.04 57.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.53 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.9 178.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.63 117.7 65.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.6 m -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -96.82 111.66 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 100.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.57 12.58 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.8 28.87 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -131.07 133.96 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.94 124.63 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 52.6 m-85 -129.58 126.48 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.58 172.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -73.73 -68.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -53.49 -20.66 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.44 117.37 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.2 p -105.17 152.78 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -145.13 148.24 33.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 101.35 43.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.37 145.9 57.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 51.92 2.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.825 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.72 -36.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.58 132.77 53.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pp -108.78 157.78 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.64 136.47 29.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 22' ' ' VAL . 9.2 p -135.54 162.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.4 t -100.98 115.97 31.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -116.21 110.89 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 m 57.63 28.91 16.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.75 7.33 71.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.4 m -108.21 129.66 55.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.45 102.68 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.56 130.86 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.98 128.12 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 108.363 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.45 153.67 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.14 160.28 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.825 HD12 ' C ' ' A' ' 28' ' ' CYS . 14.7 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.96 22.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.0 120.84 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.8 tt -74.06 125.12 90.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.02 121.87 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 42.2 t80 35.35 39.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.59 -76.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . 0.511 ' N ' HD11 ' A' ' 56' ' ' ILE . 18.8 t -178.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.15 102.25 45.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 71.85 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.56 177.24 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.49 117.95 63.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' SG ' HG23 ' A' ' 38' ' ' VAL . 5.1 m -110.51 141.35 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.2 t -97.02 111.92 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -130.13 98.04 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.16 7.19 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.72 21.42 11.3 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.56 1.162 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.535 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -118.44 120.05 36.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -82.92 106.5 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 89.9 m-85 -105.76 162.0 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.39 -161.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 33' ' ' CYS . 2.9 t0 -88.64 -68.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -61.91 -14.46 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 127.52 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 32' ' ' VAL . 92.8 t -114.21 153.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 31' ' ' CYS . 35.1 p90 -141.05 152.76 45.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 108.045 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.29 100.99 40.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.444 1.76 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -144.11 153.23 56.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.41 1.069 . . . . 0.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' GLU . 18.1 Cg_endo -75.03 54.52 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.835 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.24 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.45 134.13 53.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG22 ' HD2' ' A' ' 24' ' ' LYS . 1.1 pt -113.95 148.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 1.2 m -127.22 147.42 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.805 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.0 p -155.0 129.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASP . 26.2 t -69.84 67.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 108.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' VAL . 24.4 t70 -76.78 124.88 28.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' THR . 86.5 m 61.98 26.95 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.457 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.83 -5.76 64.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 m -103.14 140.69 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.379 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' SG ' ' A' ' 10' ' ' CYS . 42.5 t -81.81 91.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.1 124.67 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -100.14 128.24 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.368 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.23 161.61 14.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.76 135.93 34.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.835 HD12 ' CA ' ' A' ' 28' ' ' CYS . 48.8 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.502 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 136.04 19.8 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -155.67 138.72 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.37 114.04 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.02 120.63 6.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.772 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 28.9 t80 35.19 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.02 120.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' PRO . 1.3 mm-40 -135.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 t 179.76 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 108.359 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.78 119.16 29.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 73.09 4.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -130.01 169.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -97.4 117.66 65.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.909 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 m -110.2 141.78 42.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.6 t -99.6 111.87 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.0 101.61 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.47 7.95 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.18 24.88 9.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 3.2 mm100 -120.34 119.64 33.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -82.91 120.86 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 82.3 m-85 -120.91 142.06 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -52.07 -176.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -68.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -63.1 -13.6 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 104.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 1.199 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.3 t -98.87 138.81 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 21.7 p90 -143.54 147.52 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' CB ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.89 101.34 43.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.423 1.749 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -129.76 145.89 58.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.08 51.92 2.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.834 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.97 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.71 HH21 ' H ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -124.12 131.61 53.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pt -115.62 131.81 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.23 138.1 41.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.734 ' CG2' HG22 ' A' ' 22' ' ' VAL . 1.7 p -138.58 129.46 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.57 61.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -73.04 124.16 24.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.228 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 35' ' ' THR . 24.7 m 61.63 28.59 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.365 1.041 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.47 71.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -104.93 129.48 53.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.2 p -92.0 101.63 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -112.54 142.1 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.6 128.41 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.06 162.81 16.5 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 6.1 m-20 -74.56 134.88 42.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 30' ' ' ILE . 98.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 139.43 24.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -158.66 124.91 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.2 tt -78.07 123.85 86.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.03 118.53 5.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 11.0 t80 35.7 43.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.27 121.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -136.42 -76.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.346 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -178.96 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 108.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -106.03 104.14 48.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.316 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 64.75 6.09 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -135.83 168.81 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.85 121.78 56.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 135.53 51.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.366 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.71 111.73 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tm0? -123.45 97.82 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.67 8.66 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.89 21.23 9.78 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.28 130.39 55.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 0.806 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.07 109.21 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -113.17 161.32 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.49 -169.8 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 7.0 m-20 -86.71 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -62.57 -14.25 40.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.91 124.49 20.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.931 ' CG2' HD11 ' A' ' 30' ' ' ILE . 6.1 p -110.04 148.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.2 p90 -149.86 146.71 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 100.79 42.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.417 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.35 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -135.75 147.72 62.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -74.95 52.76 3.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.657 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.79 -36.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.84 131.98 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.931 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.14 137.95 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -113.87 136.82 52.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.99 126.0 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 15.2 t -70.33 70.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.58 124.47 27.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m 58.24 26.08 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.1 -18.3 41.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -86.12 126.06 33.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.573 0.808 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.27 93.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.885 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -108.92 149.48 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.885 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -114.73 128.82 56.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.0 t70 -105.46 165.34 11.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 p30 -88.31 127.1 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' CYS . 62.8 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.0 143.79 29.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' ILE . 5.6 tt0 -158.97 125.7 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -84.31 124.42 73.87 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 59' ' ' GLY . 22.5 t80 35.2 43.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.63 121.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' PRO . 1.6 mm-40 -135.79 -75.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.6 t -179.32 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 108.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.95 101.04 42.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.7 pt -135.15 177.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.72 117.51 65.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.449 1.762 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 1.2 m -115.54 136.6 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.8 t -98.87 111.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.6 tm0? -129.09 98.47 4.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.88 5.64 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.35 20.48 11.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.81 122.97 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -82.89 123.89 29.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 80.3 m-85 -128.28 147.95 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -58.24 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' ND2' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -87.84 -63.12 1.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.04 -9.82 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -59.45 112.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 ' CG2' ' A' ' 32' ' ' VAL . 59.8 t -99.98 142.67 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 34.6 p90 -133.7 149.53 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.33 100.71 42.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -139.71 150.83 64.41 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.474 1.776 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' CYS . . . . . 0.885 ' C ' HD12 ' A' ' 43' ' ' ILE . 44.4 t -169.53 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -122.72 131.79 53.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ILE . . . . . 0.823 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pt -112.09 154.02 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -139.5 146.28 39.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.3 p -153.01 147.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.7 t -81.4 64.78 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 108.335 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.7 121.52 19.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m 60.28 26.12 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.3 54.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.68 142.26 27.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 85.5 t -85.85 91.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.04 130.14 51.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.05 128.01 46.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.44 149.81 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -74.53 160.05 31.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.885 HD12 ' C ' ' A' ' 28' ' ' CYS . 40.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.451 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.95 133.97 17.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -150.5 131.24 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -71.59 119.25 72.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.99 121.84 6.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.5 m-85 33.56 42.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.78 120.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.638 1.211 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.77 -74.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.268 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.3 t -179.49 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.31 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 12.6 p -115.58 113.12 42.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.79 3.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.571 1.827 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -132.79 161.45 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 137.15 20.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 108.368 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.431 0.158 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.732 HG23 ' O ' ' A' ' 2' ' ' VAL . 5.9 m -83.68 64.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.85 86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -103.44 155.63 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.73 136.82 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -153.93 131.76 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.87 150.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.94 -51.51 2.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 p -47.59 147.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG23 ' A' ' 38' ' ' VAL . 15.0 m -120.1 135.01 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.207 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.17 111.79 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.3 tm0? -121.01 97.93 5.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 70.43 7.61 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.47 21.9 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 53.1 mt-30 -114.83 123.48 49.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 111.02 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.6 m-85 -118.58 160.16 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 10.3 t30 -78.45 164.76 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -71.72 -57.18 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 4.0 tttt -60.31 -21.86 62.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.68 150.62 40.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 32' ' ' VAL . 53.9 t -132.5 133.54 59.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.78 ' HH2' HG22 ' A' ' 38' ' ' VAL . 30.2 p90 -129.67 142.68 50.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.01 100.07 41.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.9 mt-10 -129.54 144.81 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.8 Cg_endo -74.9 -1.61 11.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.663 ' CA ' HD12 ' A' ' 43' ' ' ILE . 84.4 m -115.91 -19.21 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 108.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.3 133.48 38.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.42 151.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.18 148.12 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.329 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.5 p -152.97 143.06 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.5 t -92.58 65.76 4.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 108.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.05 125.18 28.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' THR . 96.4 m 65.18 28.06 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.33 77.9 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.1 m -109.38 136.29 49.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' HH2' ' A' ' 23' ' ' TRP . 57.6 t -81.32 93.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -96.33 118.4 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 127.98 53.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.04 147.55 50.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.63 157.84 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.663 HD12 ' CA ' ' A' ' 28' ' ' CYS . 47.5 mt -89.59 98.9 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 pt -93.21 110.26 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.91 171.18 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.67 159.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 177.92 -161.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -86.75 -170.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.59 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -114.08 -78.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.95 -66.06 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.1 OUTLIER 44.25 -153.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 108.348 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.08 -71.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.79 146.57 41.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 133.64 16.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -149.61 135.42 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -92.76 121.26 66.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.64 3.6 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.6 t80 56.26 -95.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.567 ' N ' ' CG ' ' A' ' 58' ' ' PHE . . . -145.58 101.32 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mm-40 -128.58 -147.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 27' ' ' PRO . 28.8 m -138.23 17.32 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.406 1.066 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 89.02 20.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.5 Cg_endo -74.89 56.42 4.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -142.85 178.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.2 p -97.07 117.75 65.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HB2' ' N ' ' A' ' 48' ' ' VAL . . . -103.16 90.26 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -174.86 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pp -90.52 125.36 35.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.52 74.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.66 150.53 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.33 162.39 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.512 0.196 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -161.82 162.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -101.0 -59.37 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.49 121.89 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.61 169.67 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.72 128.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -111.8 113.69 26.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -65.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t 179.98 153.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.3 m -111.25 145.15 39.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.525 HG13 ' O ' ' A' ' 11' ' ' VAL . 2.0 p -100.17 111.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 2.3 tm0? -113.24 98.01 6.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.86 9.0 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.27 23.3 8.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 18.7 mm-40 -116.01 125.53 52.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 110.38 17.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.5 m-85 -120.96 142.15 50.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -170.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -83.25 -68.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.21 -15.83 27.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.33 121.32 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 32' ' ' VAL . 21.4 t -107.98 145.72 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 37.1 p90 -134.34 149.76 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.72 100.81 40.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.378 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.78 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.813 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -142.73 152.14 58.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.811 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.844 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.22 -36.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.341 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.05 132.17 53.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 43' ' ' ILE . 2.8 pt -113.43 147.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -128.81 147.13 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 108.392 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' CG2' HG22 ' A' ' 22' ' ' VAL . 3.7 p -151.23 155.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.1 t -96.27 69.03 2.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.57 122.3 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m 63.92 28.69 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.77 62.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.7 m -105.99 136.94 44.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 0.73 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.92 92.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -101.47 123.55 45.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -100.22 129.42 46.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 108.266 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 6.3 t70 -104.87 164.87 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 21.0 t0 -95.0 137.44 34.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 28' ' ' CYS . 59.9 mt -88.74 99.01 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 pt -106.55 110.13 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.83 169.25 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.51 166.07 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -146.65 165.08 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.804 HG13 ' H ' ' A' ' 50' ' ' ASP . 3.2 p -151.28 178.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.629 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -49.01 -37.83 21.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.804 ' H ' HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER 166.77 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.693 ' HB2' HG11 ' A' ' 48' ' ' VAL . 20.4 t 64.51 166.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -49.46 -96.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -104.68 135.7 19.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.98 137.8 22.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.387 1.73 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -158.5 120.76 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -74.75 125.54 89.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.01 117.61 4.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 53.2 t80 36.31 44.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.11 121.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 4.9 mm-40 -137.55 -77.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 0.805 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' N ' HD11 ' A' ' 56' ' ' ILE . 15.3 t -178.28 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 104.02 48.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.372 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 67.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.1 pt -135.85 174.29 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 117.79 64.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.332 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.16 10.25 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.34 -150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.37 66.71 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mt 50.77 62.61 2.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.59 173.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -84.43 156.27 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 74.94 -59.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.454 0.168 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.32 134.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.31 95.15 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.12 163.47 15.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 66.9 9.25 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.46 164.3 21.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.94 128.56 54.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.87 63.21 0.7 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.17 124.14 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -110.63 140.88 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.0 111.73 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' HG3' ' NE1' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -124.57 101.59 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.86 13.14 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.3 7.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 2.4 mm-40 -128.3 127.27 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 27.8 ptt180 -82.84 121.85 27.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 53.4 m-85 -128.24 142.15 51.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.8 -177.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -79.1 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -57.29 -18.14 15.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 126.28 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.4 t -114.11 134.44 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.502 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 26.5 p90 -133.07 140.59 47.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 99.92 41.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.74 2.39 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ARG . 74.0 mt-10 -136.02 147.47 60.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.687 ' C ' HD12 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -114.31 -22.18 10.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 tpp180 -134.8 133.54 39.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.49 139.71 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -121.54 149.5 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.1 p -157.31 138.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 43.0 t -83.27 70.04 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 125.6 30.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.589 ' O ' HG22 ' A' ' 35' ' ' THR . 24.9 m 63.32 25.23 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.45 -8.95 62.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.423 1.077 . . . . 0.0 111.04 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -99.85 142.01 31.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.502 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 59.7 t -83.72 92.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.94 123.72 46.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.78 127.91 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -114.83 174.0 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.22 133.34 34.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.687 HD12 ' C ' ' A' ' 27' ' ' PRO . 48.6 mt -69.31 98.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 pt -90.36 109.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.83 163.59 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -56.47 105.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.2 p-10 -130.27 6.1 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.701 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 39.8 t 65.0 140.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.75 46.45 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.49 27.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.78 158.9 15.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 p -114.89 153.7 46.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.02 138.12 22.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -155.63 119.99 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 tt -80.96 122.5 81.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.2 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PRO . 20.6 t80 36.85 43.8 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.75 113.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 2.8 mt-10 -136.22 -135.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 0.712 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.6 m -130.47 19.4 5.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 90.44 5.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 55.39 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.472 HG13 ' CB ' ' A' ' 47' ' ' ASP . 3.3 pt -139.9 178.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.62 117.72 65.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.81 42.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB3' ' HB ' ' A' ' 48' ' ' VAL . . . -145.33 53.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -161.87 49.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.92 79.81 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.17 92.52 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.52 -62.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.53 166.83 19.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.471 0.177 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.3 113.95 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -145.12 -60.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 50.24 90.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.18 130.06 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 111.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.65 156.22 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.82 -53.3 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -116.35 172.81 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.41 154.31 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.257 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.534 HG23 ' O ' ' A' ' 11' ' ' VAL . 2.3 m -107.31 111.15 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.04 99.77 7.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.72 8.19 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.77 22.81 8.19 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 2.6 tt0 -119.05 131.39 55.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -82.71 133.39 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 15' ' ' GLN . 25.9 m-85 -132.57 123.91 27.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -56.15 175.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -76.11 -68.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.5 tmtt? -48.78 -23.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' ASP . 5.7 m-20 -60.26 100.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 32' ' ' VAL . 98.8 t -104.27 129.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 27.0 p90 -128.12 147.71 50.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.575 ' CD ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.79 100.15 49.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 10.4 mt-10 -130.78 150.61 76.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.3 Cg_endo -74.95 -11.39 21.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -117.87 -3.85 11.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.04 128.39 34.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD ' ' A' ' 24' ' ' LYS . 1.8 pt -111.69 139.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 133.37 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.001 HG23 HG22 ' A' ' 22' ' ' VAL . 4.3 p -142.46 141.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 19' ' ' ASP . 3.0 t -96.53 119.09 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -116.55 108.09 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' THR . 89.2 m 62.93 23.33 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.76 -1.1 56.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -101.78 114.58 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.359 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 2.0 p -94.77 110.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -115.79 131.63 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.86 127.82 46.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -128.74 173.43 10.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.616 1.198 . . . . 0.0 109.23 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.97 148.48 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 1.1 tt -74.42 112.94 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 pt -94.23 106.94 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 122.3 39.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 119.12 16.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -168.45 33.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.713 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 9.7 p -168.9 175.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -111.12 -77.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.73 55.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' HB2' HG21 ' A' ' 48' ' ' VAL . 46.5 t -48.37 163.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.26 -76.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.6 m -131.1 154.72 82.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 138.93 23.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.583 1.833 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -156.98 121.17 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -74.72 121.17 84.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.97 110.64 3.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 39.6 t80 48.28 48.66 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 54.99 116.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 8.0 mm-40 -141.35 -149.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 93.5 m -112.5 -18.07 12.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -112.98 95.72 35.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.11 3.53 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -133.94 173.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' HG21 ' A' ' 48' ' ' VAL . 4.3 t -98.05 117.41 65.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.86 170.77 19.63 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.713 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -101.9 75.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.83 -49.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 70' ' ' ALA . 4.2 pp -66.73 -50.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.613 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -95.39 156.06 16.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -135.34 92.44 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.86 173.96 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.0 t -112.22 100.29 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -105.99 99.08 8.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 51.13 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -101.03 -43.54 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.25 161.48 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.71 156.69 43.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.7 74.55 1.0 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m 62.72 157.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.034 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.26 138.38 46.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.7 110.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -127.51 114.15 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 60.49 14.94 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.07 39.43 6.94 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -137.95 130.76 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 0.826 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.63 118.47 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -120.53 148.31 44.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.3 t-20 -75.16 167.85 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -72.89 -68.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.04 -22.29 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.05 100.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.833 HG12 HG23 ' A' ' 32' ' ' VAL . 32.8 m -98.75 137.73 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 21.0 p90 -139.17 143.48 38.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.009 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' CE ' ' HA ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.25 100.83 42.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 16.1 mm-40 -123.42 151.73 63.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.01 -11.45 21.47 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 23.5 m -120.27 -1.21 10.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -134.02 128.39 34.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.878 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -113.47 129.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.878 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.1 m -111.7 136.28 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 22' ' ' VAL . 2.5 p -144.36 137.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' ASP . 48.1 t -92.25 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -116.32 119.65 36.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 m 60.64 22.56 12.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.32 1.94 66.26 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 m -106.04 118.27 36.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 1.8 p -93.12 124.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -133.9 152.71 51.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -118.71 128.57 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' OD1' HD11 ' A' ' 39' ' ' LEU . 2.8 m-20 -117.19 169.13 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.61 131.31 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' CYS . 56.5 mt -72.3 109.69 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -100.89 107.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -112.76 110.83 21.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -64.79 145.68 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -152.79 89.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 50' ' ' ASP . 57.6 t 66.35 149.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -107.84 -16.04 14.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.532 ' H ' HG12 ' A' ' 48' ' ' VAL . 2.4 t0 -41.12 -51.43 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.95 157.09 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.31 -47.13 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 t -83.08 120.77 76.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 146.3 32.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.49 120.26 4.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.5 tt -93.59 120.87 65.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.04 122.17 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PRO . 22.3 t80 36.66 40.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.61 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mt-10 -135.23 -139.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' ILE . 27.2 m -122.03 0.83 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 56' ' ' ILE . 78.0 m -123.46 87.64 51.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.22 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -147.56 178.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.197 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.8 t -97.81 117.75 64.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.3 Cg_endo -75.03 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.524 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . 68.51 -68.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' PRO . 9.0 p-10 -179.63 56.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.03 178.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.15 61.34 0.78 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -176.82 176.09 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.52 -61.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.174 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.84 147.72 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.41 166.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -77.99 -51.03 10.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 66.66 130.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.65 175.79 5.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.07 93.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.93 80.44 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m 63.34 167.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 0.788 . . . . 0.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.18 133.99 55.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 0.0 108.352 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 11' ' ' VAL . 2.5 p -100.51 111.25 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -115.43 100.63 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.38 11.72 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.36 26.96 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.5 126.51 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 123.0 28.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -130.52 160.7 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 21' ' ' ASP . 4.1 m-20 -56.1 -175.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -80.69 -60.72 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -82.1 -2.43 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -38.35 155.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.95 142.49 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.462 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 32.8 p90 -150.54 143.2 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -109.86 100.19 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.54 2.5 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ARG . 18.3 mm-40 -134.73 154.81 79.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 18.5 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 43' ' ' ILE . 20.3 m -116.53 -6.94 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -134.05 126.46 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 43' ' ' ILE . 7.3 pt -117.79 126.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' TRP . 1.5 m -112.04 131.48 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.75 119.37 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 19' ' ' ASP . 40.4 t -68.36 121.61 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 108.322 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.08 118.29 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 35' ' ' THR . 97.8 m 55.91 17.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.01 6.81 51.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 m -107.31 126.45 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 0.716 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 46.6 t -80.27 93.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.31 130.28 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 129.65 56.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.41 167.95 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.64 156.89 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' A' ' 61' ' ' CYS . 2.4 mm -90.69 108.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 pt -107.22 107.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.17 140.05 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -99.23 116.28 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.7 t0 -164.01 30.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.218 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -102.31 159.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -117.66 -68.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -148.04 49.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.19 167.04 11.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.63 -48.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -79.9 136.41 54.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.07 153.21 41.3 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' C ' HD12 ' A' ' 56' ' ' ILE . 3.5 tt0 -147.06 120.59 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CA ' ' A' ' 63' ' ' PRO . 1.7 mp -109.06 101.03 43.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD2' ' HG3' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -75.01 111.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 30.9 t80 40.41 39.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.584 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 56.75 118.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HD2' ' A' ' 57' ' ' PRO . 2.1 mt-10 -134.91 -144.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HG21 ' A' ' 43' ' ' ILE . 67.5 m -115.65 -6.48 12.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.33 88.02 21.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CA ' HD11 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -74.96 55.8 4.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CG2' ' C ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -151.28 178.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 53' ' ' SER . 2.0 t -97.61 117.94 64.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ASP . . . -74.56 -40.32 61.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.95 77.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 pp -105.92 164.21 12.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.57 166.86 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.41 67.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.46 -60.94 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.484 0.183 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -163.82 -43.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 155.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.03 143.76 48.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -76.72 171.58 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 60.03 164.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.2 62.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.91 -57.37 4.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p -45.6 141.42 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.91 132.15 51.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 11' ' ' VAL . 3.4 m -101.28 111.35 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.1 tm0? -111.56 97.91 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.22 11.81 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.44 25.96 6.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.0 mt-30 -120.0 130.26 54.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.78 128.08 34.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.1 m-85 -138.13 157.41 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.93 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -84.22 -61.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -82.33 -3.7 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.733 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.1 p -138.43 141.34 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 31.6 p90 -143.08 148.16 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 108.047 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 100.36 47.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' ARG . 50.5 mm-40 -143.78 156.2 59.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 Cg_endo -75.09 -8.22 19.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.9 -8.25 11.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.0 125.82 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.853 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -116.95 131.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 30' ' ' ILE . 74.1 m -120.25 141.32 50.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.733 ' HB ' HG23 ' A' ' 22' ' ' VAL . 2.9 p -152.19 121.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -69.71 128.42 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.36 94.92 4.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' THR . 23.9 m 61.96 25.45 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' CA ' ' SG ' ' A' ' 33' ' ' CYS . . . 111.12 -19.58 24.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -83.38 110.38 18.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 88.2 t -81.1 97.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -98.6 152.46 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.622 ' N ' HD12 ' A' ' 39' ' ' LEU . 82.0 m -136.48 128.09 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.95 166.52 18.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.75 143.5 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' O ' ' CG2' ' A' ' 43' ' ' ILE . 1.3 tt -62.88 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 pt -103.52 107.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.466 ' O ' HD11 ' A' ' 64' ' ' ILE . 21.3 p -115.38 114.0 24.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.73 130.96 45.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.58 40.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 p -102.83 145.91 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -134.47 -61.72 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.33 57.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.48 -179.73 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 108.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.6 -47.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 99.4 p -88.32 120.12 70.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.03 142.75 28.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -157.39 121.56 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.881 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -71.78 113.75 22.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.96 4.44 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.568 1.825 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 21.8 t80 39.95 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.13 90.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -117.37 -171.63 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 95.0 m -105.67 -21.01 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.0 m -108.01 102.24 44.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 108.368 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.881 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -75.01 55.74 4.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.483 1.78 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -137.05 174.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -98.02 116.73 65.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.4 Cg_endo -74.93 91.7 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 66' ' ' PRO . . . 66.97 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' PRO . 4.4 t70 -178.53 60.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp 50.86 56.9 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.86 78.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 136.63 3.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -177.9 133.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.531 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -87.0 111.53 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -94.19 166.13 12.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.19 160.15 15.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 154.88 34.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 61.24 114.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.626 ' HB1' ' HA3' ' A' ' 36' ' ' GLY . . . -130.35 163.48 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.22 -60.8 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p -99.74 134.54 42.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.774 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -108.91 126.26 52.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -101.64 111.57 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -124.49 97.87 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.76 5.57 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.64 18.81 10.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 4.0 mt-30 -114.77 132.91 56.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -82.9 120.05 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 31.8 m-85 -134.51 157.39 46.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.12 -176.48 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -81.64 -68.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -23.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.81 128.52 36.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 32' ' ' VAL . 3.1 m -118.92 135.61 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.799 ' HH2' HG22 ' A' ' 38' ' ' VAL . 35.3 p90 -127.39 148.3 50.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 108.01 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 100.16 40.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.396 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -37.13 2.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 4.9 mt-10 -131.95 156.44 80.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.55 20.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 43' ' ' ILE . 53.7 t -123.0 0.97 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 11.7 tpp180 -133.68 135.53 44.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.715 HD13 ' C ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.76 127.88 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 30' ' ' ILE . 9.8 m -110.98 141.83 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -146.93 139.69 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.3 t -93.73 102.18 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.1 110.43 20.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m 73.87 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.436 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.626 ' HA3' ' HB1' ' A' ' 7' ' ' ALA . . . 83.43 5.94 88.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.412 1.07 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.33 52.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.799 HG22 ' HH2' ' A' ' 23' ' ' TRP . 39.1 t -81.1 92.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 40' ' ' CYS . 3.1 tp -101.01 129.69 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.76 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -112.27 127.88 56.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.49 152.16 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.1 139.11 39.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 28' ' ' CYS . 15.2 mt -75.45 98.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -88.11 109.77 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 167.06 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -81.69 165.91 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.96 165.83 11.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 49' ' ' LYS . 2.3 p -164.16 -172.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.709 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -141.79 100.94 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' LYS . 9.0 m-20 39.87 53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 1.6 t -54.27 152.53 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mt -40.72 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.59 120.72 37.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.91 122.09 7.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -147.27 139.16 24.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.28 112.75 14.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 55' ' ' GLU . 18.5 Cg_endo -74.94 115.97 4.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 16.4 t80 41.09 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 32.24 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.64 -171.54 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.3 t -106.1 -22.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.86 105.47 53.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 108.249 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.06 55.41 3.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.565 1.824 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -124.78 166.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.616 ' O ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -97.48 117.62 65.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 108.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -144.8 77.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -177.62 37.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -124.39 137.13 54.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.26 -60.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.04 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.6 81.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.477 0.179 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.21 174.84 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 66.81 83.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -167.12 91.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.85 171.17 13.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.36 125.48 13.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.38 120.82 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.48 -65.32 2.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -88.03 155.24 19.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.83 129.19 54.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -96.55 111.66 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 5.9 tm0? -123.99 100.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.62 11.14 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.08 26.77 8.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.2 mt-30 -120.25 121.11 37.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.88 114.07 20.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 62.2 m-85 -117.88 160.75 20.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.47 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -78.17 -64.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ASP . 2.7 ttpp -79.55 -2.62 43.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -36.5 143.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 32' ' ' VAL . 99.3 t -123.82 138.94 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.0 p90 -150.65 145.63 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -110.44 100.71 46.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.55 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.6 mt-10 -124.21 149.81 61.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.93 -9.47 20.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.525 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -117.43 -7.64 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.19 128.97 33.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.1 tt -112.53 133.42 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 m -114.32 143.27 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 22' ' ' VAL . 2.4 p -150.52 121.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 19' ' ' ASP . 35.6 t -74.86 125.91 29.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.47 98.45 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 35' ' ' THR . 53.2 m 61.47 23.65 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.96 -17.23 27.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.423 1.077 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -84.16 111.23 19.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HH2' ' A' ' 23' ' ' TRP . 76.3 t -86.21 93.79 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -106.07 152.1 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.663 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -124.94 127.83 47.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.314 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -106.43 146.38 30.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.76 155.49 40.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 61' ' ' CYS . 93.9 mt -111.11 99.11 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 pt -117.72 111.0 32.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.87 171.02 9.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -97.49 166.07 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -169.01 179.53 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.932 HG23 ' HB2' ' A' ' 67' ' ' ALA . 53.0 t -93.22 -103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.705 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -156.57 -86.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.79 88.19 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.15 -178.2 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mt -45.58 -89.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 p -133.96 138.8 31.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.511 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 17.9 Cg_endo -75.1 122.2 7.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.767 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.14 137.89 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.98 113.7 22.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -74.94 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 59' ' ' GLY . 22.6 t80 42.75 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.26 90.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 10.1 mm-40 -121.34 -171.7 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.557 ' HB3' HG22 ' A' ' 43' ' ' ILE . 43.8 t -106.57 -16.9 14.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.1 p -111.55 98.42 40.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.967 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 55.35 3.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -139.96 178.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.4 ' N ' ' HA ' ' A' ' 54' ' ' PRO . 1.4 p -99.16 117.02 64.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -169.8 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.932 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -94.44 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' LEU . 43.5 m-20 -115.34 -44.0 3.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -40.39 159.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.66 88.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.1 50.46 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' CD2' ' O ' ' A' ' 1' ' ' TYR . 11.4 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.497 0.189 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.34 173.95 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -68.46 169.75 10.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.47 114.05 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -39.49 80.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -88.44 135.96 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.91 154.93 42.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.29 -80.89 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.424 ' CB ' ' HG2' ' A' ' 16' ' ' ARG . 73.2 p -106.13 173.86 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -116.31 149.17 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 p -100.57 111.55 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.93 100.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.64 9.96 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.1 26.33 7.91 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.526 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -120.72 126.02 49.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 0.693 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -82.74 112.45 19.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.2 m-85 -120.63 129.63 53.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.8 166.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -72.97 -68.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -48.02 -24.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.84 148.85 51.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 32' ' ' VAL . 85.4 t -137.7 132.78 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.756 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 43.9 p90 -121.95 148.8 44.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.945 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.82 99.77 39.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.91 2.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 11.0 mm-40 -133.49 155.42 80.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.25 19.86 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' C ' HD12 ' A' ' 43' ' ' ILE . 43.5 t -124.33 1.24 8.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 108.232 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.4 136.5 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' HD2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -122.77 144.64 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.87 141.5 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 22' ' ' VAL . 1.5 p -145.74 133.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 51.0 t -82.55 116.81 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.281 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.0 t70 -116.82 111.58 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 p 38.08 76.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.15 22.13 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.0 m -138.53 102.91 4.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.432 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.3 p -94.72 136.7 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.17 143.8 46.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.75 127.89 54.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 108.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.19 148.01 36.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.2 160.14 31.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 28' ' ' CYS . 73.4 mt -107.4 104.17 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.8 pt -85.81 108.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.19 171.05 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.02 166.22 13.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.71 140.53 47.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG12 HD12 ' A' ' 64' ' ' ILE . 8.1 p -73.74 168.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' N ' HG22 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -142.51 -69.79 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.83 65.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.24 176.42 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.322 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -88.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.7 155.2 46.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.93 134.65 18.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.81 124.28 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -72.05 120.76 82.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -75.04 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 46.0 t80 46.53 49.7 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.51 119.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 28.1 mm-40 -145.35 -150.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB3' HG22 ' A' ' 43' ' ' ILE . 5.3 t -112.65 -16.2 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.5 m -116.67 98.21 51.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.65 HD12 HG12 ' A' ' 48' ' ' VAL . 1.3 pt -135.61 178.23 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.586 ' O ' HG23 ' A' ' 48' ' ' VAL . 44.3 t -97.63 117.53 65.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.3 Cg_endo -74.94 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . . . -49.87 95.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.956 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.3 t0 172.23 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD12 ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER 39.58 52.5 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.238 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ALA . . . -49.21 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . 179.51 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.468 0.175 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 1' ' ' TYR . 4.0 m -118.12 135.32 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.02 105.27 6.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 49.98 92.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.35 113.95 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -81.37 98.04 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.69 -62.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.11 -79.79 0.68 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.553 1.158 . . . . 0.0 111.056 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.31 135.08 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m -110.4 140.01 45.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 108.341 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -96.88 111.58 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.2 tm0? -124.76 103.0 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.63 13.24 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.68 31.47 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -131.37 127.38 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 116.53 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.3 m-85 -119.09 144.21 46.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -54.56 -170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' CYS . 76.7 m-20 -87.43 -68.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.26 -16.04 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -59.36 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.4 p -110.99 156.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 23.8 p90 -150.08 148.49 29.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 101.35 43.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -141.54 148.66 51.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 52.96 3.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.46 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.22 132.78 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 43' ' ' ILE . 1.1 pp -110.26 160.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.43 136.19 23.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' ASP . 7.7 p -143.85 134.66 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' ASP . 24.7 t -68.7 70.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' VAL . 54.2 t0 -78.89 124.1 27.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 35' ' ' THR . 53.8 m 61.02 27.31 17.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.8 -6.17 67.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.0 m -101.78 143.97 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.96 91.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -104.65 132.28 51.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -101.44 129.76 47.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.48 156.57 18.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.96 160.1 28.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 28' ' ' CYS . 16.1 mt -113.03 118.07 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 pt -85.86 106.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.87 160.58 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -55.69 164.72 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.0 m-20 -137.68 137.11 38.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.86 HG11 ' HB2' ' A' ' 51' ' ' CYS . 51.8 t -157.52 144.4 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -37.61 6.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.722 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 170.44 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.86 ' HB2' HG11 ' A' ' 48' ' ' VAL . 49.5 t 58.56 163.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.599 1.187 . . . . 0.0 108.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' CYS . 10.5 mt -39.65 -86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.25 122.8 33.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.06 137.49 21.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.63 131.95 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG23 ' HA2' ' A' ' 59' ' ' GLY . 1.2 tt -78.89 121.6 83.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.08 121.39 6.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' PRO . 10.6 t80 35.72 40.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 2.5 mm-40 -134.7 -75.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 110.235 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.51 -38.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.0 m -107.36 103.31 48.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.83 5.24 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -126.3 169.92 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.95 117.99 64.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HA ' HG21 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.0 176.46 9.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.27 -63.22 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LEU . 2.2 m-20 -156.9 83.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.229 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 69' ' ' LEU . 0.1 OUTLIER 39.66 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.21 111.69 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.29 -60.1 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.48 156.02 26.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.222 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' TYR . . . . . 0.466 ' CD2' ' O ' ' A' ' 1' ' ' TYR . 46.9 p90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.466 0.175 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.7 m -135.57 169.7 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -142.67 142.03 31.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -59.2 122.14 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.47 161.03 26.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.36 78.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.63 89.59 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.55 -71.26 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p -57.5 131.45 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 0.72 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.01 120.34 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.535 HG23 ' O ' ' A' ' 11' ' ' VAL . 4.5 m -99.39 111.18 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.3 tm0? -110.16 97.96 7.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.36 11.57 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.57 25.15 6.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -119.87 135.09 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -82.9 118.77 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -134.79 153.22 52.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -164.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 9.2 m-20 -88.85 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -64.35 -12.59 43.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.99 112.37 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.6 p -99.05 150.98 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 27.3 p90 -144.51 151.61 39.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 101.51 43.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -39.95 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -143.59 149.26 46.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.96 3.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.798 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.4 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -124.39 132.65 53.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG12 ' A' ' 43' ' ' ILE . 2.0 pp -107.01 153.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 91.5 m -139.8 132.06 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 108.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.728 ' HB ' HG23 ' A' ' 22' ' ' VAL . 7.6 p -145.81 143.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -78.96 68.57 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 108.235 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.73 129.49 37.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.594 1.184 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 53.9 m 60.2 25.85 15.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' C ' ' SG ' ' A' ' 33' ' ' CYS . . . 83.94 -11.02 58.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -98.13 138.03 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.15 91.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tp -105.91 149.49 26.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 55.9 m -122.9 132.74 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -108.79 162.98 13.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.32 126.92 35.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 28' ' ' CYS . 56.3 mt -70.86 99.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 pt -89.16 109.11 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.33 168.59 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -58.33 157.33 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.455 ' HA ' HD11 ' A' ' 64' ' ' ILE . 4.6 p-10 -125.41 178.3 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.813 HG21 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -159.05 -164.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.659 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -125.68 64.81 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 7.0 t0 86.36 -45.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.813 ' SG ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 60.99 -162.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.323 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 mp -98.11 -58.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -133.78 121.07 15.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 126.28 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.68 126.47 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.44 HG23 ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -72.05 119.22 73.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.97 121.88 6.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t80 36.4 40.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.71 118.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.21 -76.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.87 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.72 106.06 58.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 108.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.75 6.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -129.8 178.25 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 117.85 64.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -69.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.91 91.34 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt 43.46 62.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 41.87 79.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.58 -59.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.74 150.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.364 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.502 0.191 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.8 t 56.43 96.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.28 96.0 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -133.12 137.4 46.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -177.8 152.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.62 71.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.48 103.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.29 -73.05 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 14.3 m 62.71 103.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 0.773 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -109.44 159.35 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -103.35 111.71 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -124.5 98.94 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 5.35 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.51 20.48 10.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.08 129.22 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 7.6 tmm_? -82.95 113.07 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.8 m-85 -111.08 144.37 40.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.54 -172.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 33' ' ' CYS . 74.2 m-20 -77.87 -68.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -15.14 30.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.67 103.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.7 p -98.89 145.69 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -145.46 152.9 40.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.62 101.53 43.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.47 146.16 58.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 51.83 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -36.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 108.241 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 131.01 53.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.54 160.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.9 m -146.76 131.18 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 33' ' ' CYS . 8.0 p -130.88 172.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.58 ' H ' HG22 ' A' ' 32' ' ' VAL . 2.3 t -108.28 66.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.337 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.94 128.62 37.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 35' ' ' THR . 92.8 m 51.29 29.02 4.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.7 -13.9 54.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' ASP . 27.8 m -86.91 132.54 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.76 91.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 39' ' ' LEU . 1.2 mm? -102.29 152.01 21.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -118.73 127.71 53.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -110.07 144.2 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.44 126.29 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -74.1 113.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.82 106.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 p -95.13 168.64 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.93 165.98 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 48' ' ' VAL . 40.2 p30 -163.7 150.39 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.618 HG21 ' CB ' ' A' ' 67' ' ' ALA . 37.8 t -157.53 141.55 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -96.99 40.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.595 ' H ' HG12 ' A' ' 48' ' ' VAL . 8.9 m-20 -144.53 39.83 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.78 166.06 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.66 -86.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p -114.52 141.09 26.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 137.12 21.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.62 124.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -75.15 124.83 89.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.95 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 24.5 t80 35.43 41.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.43 119.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.02 -75.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.47 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 48.4 t -178.57 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 102.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HA ' ' CB ' ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 69.3 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -131.54 176.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.44 127.32 36.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.618 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -134.78 59.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.98 37.27 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 70' ' ' ALA . 4.3 pp -123.46 -48.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.577 ' N ' HD12 ' A' ' 69' ' ' LEU . . . 58.99 158.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.04 68.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.52 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.453 0.168 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.22 -33.81 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.58 143.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -128.65 -51.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.08 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 58.26 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -104.63 149.81 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.64 -60.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.4 -65.85 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -68.64 149.96 48.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.1 m -110.89 157.38 19.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.348 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.548 HG23 ' O ' ' A' ' 11' ' ' VAL . 3.1 m -109.65 111.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.87 98.02 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.52 9.95 7.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.11 23.62 7.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm-40 -122.21 139.15 54.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -82.76 122.66 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 34.6 m-85 -133.32 128.53 35.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -52.69 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -86.95 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -50.7 -22.67 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.211 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.43 149.73 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 30' ' ' ILE . 2.8 p -136.05 141.38 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.485 ' HZ2' HG13 ' A' ' 38' ' ' VAL . 32.9 p90 -137.22 149.14 46.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.42 101.47 42.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.54 148.42 67.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.2 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -169.52 -37.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 132.22 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -108.77 142.09 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' HD13 ' A' ' 30' ' ' ILE . 25.4 m -116.22 132.43 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 39' ' ' LEU . 3.1 p -133.19 150.03 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.2 t -99.72 105.69 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 108.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.63 106.07 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m 67.89 28.14 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.93 -3.24 87.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -91.57 114.04 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 0.736 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG13 ' HZ2' ' A' ' 23' ' ' TRP . 90.3 t -83.69 91.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.997 HD22 ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -109.15 151.76 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.997 ' N ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -121.17 137.0 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.4 134.98 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -86.99 133.14 33.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 2.6 tt -78.28 116.9 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -100.96 106.65 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 170.71 8.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.5 166.01 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.9 120.9 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' CYS . 11.6 p -46.35 165.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -126.25 -67.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -154.03 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.0 -174.51 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp -93.69 -68.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 p -125.79 148.97 64.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 138.64 23.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -155.98 122.66 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.67 HD12 ' CA ' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -78.87 125.5 83.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 59' ' ' GLY . 6.0 t80 35.01 45.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.0 123.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 1.5 mm-40 -138.04 -74.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 37.2 t 178.73 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 104.47 49.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.67 ' CA ' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 66.93 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -140.12 170.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.3 t -97.95 117.89 64.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 174.1 13.37 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.74 69.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.54 -50.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -127.4 170.71 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.29 131.99 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.01 -61.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.69 84.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.435 0.159 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -42.74 154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 58.36 113.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.09 179.04 6.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -125.34 146.65 49.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.08 117.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.26 123.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.78 -61.85 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m -118.62 153.22 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' SG ' HG22 ' A' ' 38' ' ' VAL . 1.4 p -110.86 159.03 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -104.04 111.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 1.2 tm0? -123.09 97.82 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.0 5.26 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.66 19.77 10.78 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.502 1.126 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -119.27 128.29 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -82.95 114.56 21.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 50.0 m-85 -113.44 142.68 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.69 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -68.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.663 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -62.06 -14.92 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.21 114.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 20' ' ' LYS . 5.9 m -106.0 150.82 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 28.6 p90 -145.74 146.86 31.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 101.33 43.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -142.49 149.85 52.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 52.59 3.09 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 43' ' ' ILE . 48.6 t -169.51 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.27 126.84 47.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.939 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pp -109.17 147.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -126.91 133.01 50.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 108.281 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 22' ' ' VAL . 7.3 p -135.78 149.6 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.22 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.77 65.55 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 108.384 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 127.64 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 35' ' ' THR . 50.0 m 56.28 26.79 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.23 -17.14 44.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -87.7 133.82 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 0.811 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 95.9 t -81.44 91.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 39' ' ' LEU . 4.3 mt -99.81 142.5 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.19 127.98 55.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -107.77 159.73 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 121.71 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.939 HD11 HG23 ' A' ' 30' ' ' ILE . 40.0 mt -72.04 99.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 pt -86.94 107.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 p -92.48 170.78 9.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 108.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.55 165.75 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -160.94 171.64 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG12 ' N ' ' A' ' 49' ' ' LYS . 81.0 t -130.91 -106.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.652 ' N ' HG12 ' A' ' 48' ' ' VAL . 8.1 tptt -159.68 -73.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -132.57 71.19 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -164.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 tp -96.94 -66.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.6 m -125.33 128.27 24.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.39 1.056 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -157.74 122.14 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.97 121.93 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.93 122.8 7.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.1 m-85 33.69 40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.15 119.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.62 -76.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -178.32 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.72 106.04 57.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.53 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.9 178.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.63 117.7 65.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 -172.3 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -157.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -116.32 90.68 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.39 106.45 8.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.11 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -148.79 138.95 22.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.01 169.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.508 0.194 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -110.13 99.72 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.38 151.99 12.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.33 156.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -56.94 124.77 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -59.57 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.64 146.97 48.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.379 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -60.39 5.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -51.43 172.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.07 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.6 m -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -96.82 111.66 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 100.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.57 12.58 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.8 28.87 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -131.07 133.96 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.94 124.63 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 52.6 m-85 -129.58 126.48 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.58 172.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -73.73 -68.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -53.49 -20.66 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.44 117.37 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.2 p -105.17 152.78 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -145.13 148.24 33.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 101.35 43.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.37 145.9 57.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 51.92 2.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.825 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.72 -36.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.58 132.77 53.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pp -108.78 157.78 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.64 136.47 29.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 22' ' ' VAL . 9.2 p -135.54 162.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.4 t -100.98 115.97 31.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -116.21 110.89 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 m 57.63 28.91 16.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.75 7.33 71.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.4 m -108.21 129.66 55.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.45 102.68 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.56 130.86 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.98 128.12 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 108.363 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.45 153.67 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.14 160.28 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.825 HD12 ' C ' ' A' ' 28' ' ' CYS . 14.7 mt -104.64 112.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -85.56 109.77 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 165.08 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' HD11 ' A' ' 64' ' ' ILE . 1.2 mp0 -65.47 164.29 14.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.99 162.13 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.41 HG12 HD12 ' A' ' 64' ' ' ILE . 8.6 p -120.2 152.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -131.44 69.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 53.24 57.8 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -176.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -58.41 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -140.18 136.29 16.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.96 22.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.0 120.84 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.8 tt -74.06 125.12 90.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.02 121.87 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 42.2 t80 35.35 39.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.59 -76.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . 0.511 ' N ' HD11 ' A' ' 56' ' ' ILE . 18.8 t -178.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.15 102.25 45.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 71.85 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 46' ' ' GLU . 1.2 pt -129.56 177.24 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.49 117.95 63.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.83 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -144.24 83.04 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.38 89.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.9 91.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.96 -63.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.13 110.41 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.535 0.207 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.42 -47.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.48 89.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -162.08 149.37 14.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 81.27 -51.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 63.51 151.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.78 171.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.36 -79.66 0.17 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 175.08 149.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.962 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' SG ' HG23 ' A' ' 38' ' ' VAL . 5.1 m -110.51 141.35 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.2 t -97.02 111.92 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -130.13 98.04 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.16 7.19 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.72 21.42 11.3 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.56 1.162 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.535 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -118.44 120.05 36.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -82.92 106.5 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 89.9 m-85 -105.76 162.0 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.39 -161.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 33' ' ' CYS . 2.9 t0 -88.64 -68.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -61.91 -14.46 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 127.52 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 32' ' ' VAL . 92.8 t -114.21 153.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 31' ' ' CYS . 35.1 p90 -141.05 152.76 45.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 108.045 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.29 100.99 40.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.444 1.76 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -144.11 153.23 56.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.41 1.069 . . . . 0.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' GLU . 18.1 Cg_endo -75.03 54.52 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.835 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.24 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.45 134.13 53.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG22 ' HD2' ' A' ' 24' ' ' LYS . 1.1 pt -113.95 148.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 1.2 m -127.22 147.42 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.805 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.0 p -155.0 129.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASP . 26.2 t -69.84 67.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 108.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' VAL . 24.4 t70 -76.78 124.88 28.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' THR . 86.5 m 61.98 26.95 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.457 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.83 -5.76 64.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 m -103.14 140.69 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.379 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' SG ' ' A' ' 10' ' ' CYS . 42.5 t -81.81 91.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.1 124.67 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -100.14 128.24 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.368 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.23 161.61 14.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.76 135.93 34.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.835 HD12 ' CA ' ' A' ' 28' ' ' CYS . 48.8 mt -74.27 98.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 pt -90.9 110.64 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.94 116.72 32.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.68 161.5 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' CG ' HD12 ' A' ' 64' ' ' ILE . 18.0 t0 -124.33 177.59 5.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -168.14 173.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 51' ' ' CYS . 8.9 mttt -126.87 -44.09 1.66 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -42.06 -28.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.512 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -57.33 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 108.289 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -111.5 -59.0 2.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -142.11 150.59 56.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.502 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 136.04 19.8 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -155.67 138.72 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.37 114.04 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.02 120.63 6.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.772 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 28.9 t80 35.19 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.02 120.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' PRO . 1.3 mm-40 -135.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 t 179.76 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 108.359 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.78 119.16 29.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 73.09 4.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.56 HD12 ' CG ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -130.01 169.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -97.4 117.66 65.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -177.57 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . . . -123.82 46.85 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -105.24 -38.61 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.3 pp -120.3 127.59 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 69' ' ' LEU . . . 172.61 168.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 56.02 100.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.22 106.38 16.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.454 0.168 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.82 135.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -174.29 100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -145.8 130.43 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.78 161.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.54 130.65 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.11 102.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.26 75.95 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.02 170.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.766 . . . . 0.0 110.06 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 m -110.2 141.78 42.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.6 t -99.6 111.87 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.0 101.61 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.47 7.95 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.18 24.88 9.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 3.2 mm100 -120.34 119.64 33.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -82.91 120.86 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 82.3 m-85 -120.91 142.06 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -52.07 -176.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -68.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -63.1 -13.6 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 104.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 1.199 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.3 t -98.87 138.81 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 21.7 p90 -143.54 147.52 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' CB ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.89 101.34 43.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.423 1.749 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -129.76 145.89 58.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.08 51.92 2.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.834 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.97 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.71 HH21 ' H ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -124.12 131.61 53.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pt -115.62 131.81 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.23 138.1 41.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.734 ' CG2' HG22 ' A' ' 22' ' ' VAL . 1.7 p -138.58 129.46 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.57 61.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -73.04 124.16 24.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.228 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 35' ' ' THR . 24.7 m 61.63 28.59 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.365 1.041 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.47 71.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -104.93 129.48 53.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.2 p -92.0 101.63 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -112.54 142.1 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.6 128.41 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.06 162.81 16.5 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 6.1 m-20 -74.56 134.88 42.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 30' ' ' ILE . 98.3 mt -85.16 101.43 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.0 108.23 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.26 146.17 27.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -91.47 140.69 29.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.937 ' CG ' HD11 ' A' ' 64' ' ' ILE . 13.0 p30 175.73 -176.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.6 t -135.09 145.81 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.11 45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.89 52.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 t -119.7 168.67 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 108.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p -111.24 137.27 20.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 139.43 24.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -158.66 124.91 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.2 tt -78.07 123.85 86.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.03 118.53 5.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 11.0 t80 35.7 43.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.27 121.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -136.42 -76.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.346 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -178.96 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 108.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -106.03 104.14 48.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.316 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 64.75 6.09 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.937 HD11 ' CG ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -135.83 168.81 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.85 121.78 56.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.81 8.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.51 -51.56 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' ALA . 13.6 p30 169.84 79.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt 63.59 -80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -162.47 111.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.06 177.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.8 119.24 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.528 0.204 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 p -176.1 -39.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 122.9 7.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -80.76 138.08 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.73 143.41 55.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.79 104.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.19 115.84 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.63 -54.32 0.74 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 150.54 47.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 135.53 51.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.366 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.71 111.73 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tm0? -123.45 97.82 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.67 8.66 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.89 21.23 9.78 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.28 130.39 55.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 0.806 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.07 109.21 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -113.17 161.32 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.49 -169.8 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 7.0 m-20 -86.71 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -62.57 -14.25 40.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.91 124.49 20.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.931 ' CG2' HD11 ' A' ' 30' ' ' ILE . 6.1 p -110.04 148.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.2 p90 -149.86 146.71 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 100.79 42.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.417 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.35 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -135.75 147.72 62.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -74.95 52.76 3.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.657 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.79 -36.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.84 131.98 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.931 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.14 137.95 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -113.87 136.82 52.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.99 126.0 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 15.2 t -70.33 70.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.58 124.47 27.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m 58.24 26.08 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.1 -18.3 41.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -86.12 126.06 33.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.573 0.808 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.27 93.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.885 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -108.92 149.48 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.885 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -114.73 128.82 56.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.0 t70 -105.46 165.34 11.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 p30 -88.31 127.1 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' CYS . 62.8 mt -70.83 98.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.3 pt -86.32 109.97 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.0 155.55 20.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.79 165.74 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' HD11 ' A' ' 64' ' ' ILE . 3.9 p30 -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.72 HG21 ' CA ' ' A' ' 67' ' ' ALA . 70.2 t -142.88 111.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -16.14 55.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.2 m-20 -53.65 -32.29 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.36 -153.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 108.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -65.55 0.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -90.25 120.66 69.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.0 143.79 29.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' ILE . 5.6 tt0 -158.97 125.7 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -84.31 124.42 73.87 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 59' ' ' GLY . 22.5 t80 35.2 43.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.63 121.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' PRO . 1.6 mm-40 -135.79 -75.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.6 t -179.32 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 108.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.95 101.04 42.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.7 pt -135.15 177.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.72 117.51 65.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.27 6.24 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.762 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.72 ' CA ' HG21 ' A' ' 48' ' ' VAL . . . -53.73 -58.0 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 174.8 85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.03 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 160.64 12.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.29 112.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.78 175.38 6.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.504 0.192 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.31 140.97 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -171.76 120.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.222 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -147.43 107.83 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -163.82 156.46 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.05 153.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.59 91.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.61 -61.01 0.54 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -76.92 116.88 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 1.2 m -115.54 136.6 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.8 t -98.87 111.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.6 tm0? -129.09 98.47 4.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.88 5.64 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.35 20.48 11.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.81 122.97 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -82.89 123.89 29.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 80.3 m-85 -128.28 147.95 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.451 ' ND2' ' OD1' ' A' ' 19' ' ' ASP . 0.6 OUTLIER -58.24 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . 0.451 ' OD1' ' ND2' ' A' ' 18' ' ' ASN . 0.7 OUTLIER -87.84 -63.12 1.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.04 -9.82 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -59.45 112.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 ' CG2' ' A' ' 32' ' ' VAL . 59.8 t -99.98 142.67 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 34.6 p90 -133.7 149.53 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.33 100.71 42.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -139.71 150.83 64.41 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.474 1.776 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' CYS . . . . . 0.885 ' C ' HD12 ' A' ' 43' ' ' ILE . 44.4 t -169.53 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -122.72 131.79 53.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ILE . . . . . 0.823 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pt -112.09 154.02 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -139.5 146.28 39.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.3 p -153.01 147.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.7 t -81.4 64.78 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 108.335 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.7 121.52 19.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m 60.28 26.12 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.3 54.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.68 142.26 27.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 85.5 t -85.85 91.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.04 130.14 51.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.05 128.01 46.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.44 149.81 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -74.53 160.05 31.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.885 HD12 ' C ' ' A' ' 28' ' ' CYS . 40.1 mt -114.77 116.86 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 pt -85.82 106.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 46' ' ' GLU . 9.6 t -89.76 162.12 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 17.2 mp0 -61.06 166.19 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.565 ' CG ' HG23 ' A' ' 48' ' ' VAL . 13.3 p-10 -109.61 -166.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 67' ' ' ALA . 21.8 t 68.65 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -114.01 44.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -149.46 41.68 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 t -97.28 156.84 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mt -40.35 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -120.26 120.82 29.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.95 133.97 17.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -150.5 131.24 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -71.59 119.25 72.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.99 121.84 6.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.5 m-85 33.56 42.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.78 120.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.638 1.211 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.77 -74.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.268 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.3 t -179.49 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.31 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.426 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 12.6 p -115.58 113.12 42.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.79 3.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.571 1.827 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -132.79 161.45 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 137.15 20.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 108.368 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.68 5.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' HB3' HG11 ' A' ' 48' ' ' VAL . . . -166.94 97.53 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -139.11 -47.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.62 112.11 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.17 158.58 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.63 169.12 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.56 164.22 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG23 ' A' ' 38' ' ' VAL . 15.0 m -120.1 135.01 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.207 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.17 111.79 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.3 tm0? -121.01 97.93 5.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 70.43 7.61 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.47 21.9 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 53.1 mt-30 -114.83 123.48 49.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 111.02 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.6 m-85 -118.58 160.16 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.492 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 10.3 t30 -78.45 164.76 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.492 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -71.72 -57.18 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 4.0 tttt -60.31 -21.86 62.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.68 150.62 40.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 32' ' ' VAL . 53.9 t -132.5 133.54 59.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.78 ' HH2' HG22 ' A' ' 38' ' ' VAL . 30.2 p90 -129.67 142.68 50.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.01 100.07 41.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.9 mt-10 -129.54 144.81 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.8 Cg_endo -74.9 -1.61 11.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.663 ' CA ' HD12 ' A' ' 43' ' ' ILE . 84.4 m -115.91 -19.21 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 108.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.3 133.48 38.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.42 151.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.18 148.12 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.329 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.5 p -152.97 143.06 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.5 t -92.58 65.76 4.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 108.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.05 125.18 28.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' THR . 96.4 m 65.18 28.06 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.33 77.9 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.1 m -109.38 136.29 49.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' HH2' ' A' ' 23' ' ' TRP . 57.6 t -81.32 93.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -96.33 118.4 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 127.98 53.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.04 147.55 50.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.63 157.84 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.663 HD12 ' CA ' ' A' ' 28' ' ' CYS . 47.5 mt . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.243 0 N-CA-C 109.994 -0.373 . . . . 0.0 109.994 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 133.64 16.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -149.61 135.42 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -92.76 121.26 66.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.64 3.6 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.6 t80 56.26 -95.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.567 ' N ' ' CG ' ' A' ' 58' ' ' PHE . . . -145.58 101.32 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mm-40 -128.58 -147.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 27' ' ' PRO . 28.8 m -138.23 17.32 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.406 1.066 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 89.02 20.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.5 Cg_endo -74.89 56.42 4.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -142.85 178.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.2 p -97.07 117.75 65.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.001 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.965 -0.383 . . . . 0.0 109.965 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.3 m -111.25 145.15 39.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.0 p -100.17 111.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 2.3 tm0? -113.24 98.01 6.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.86 9.0 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.27 23.3 8.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 18.7 mm-40 -116.01 125.53 52.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 110.38 17.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.5 m-85 -120.96 142.15 50.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -170.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -83.25 -68.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.21 -15.83 27.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.33 121.32 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 32' ' ' VAL . 21.4 t -107.98 145.72 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 37.1 p90 -134.34 149.76 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.72 100.81 40.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.378 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.78 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.813 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -142.73 152.14 58.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.811 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.844 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.22 -36.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.341 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.05 132.17 53.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 43' ' ' ILE . 2.8 pt -113.43 147.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -128.81 147.13 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 108.392 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.539 ' CG2' HG22 ' A' ' 22' ' ' VAL . 3.7 p -151.23 155.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.1 t -96.27 69.03 2.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.57 122.3 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m 63.92 28.69 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.77 62.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.7 m -105.99 136.94 44.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 0.73 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.92 92.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -101.47 123.55 45.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -100.22 129.42 46.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 108.266 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 6.3 t70 -104.87 164.87 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 21.0 t0 -95.0 137.44 34.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 28' ' ' CYS . 59.9 mt . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.035 -0.357 . . . . 0.0 110.035 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.414 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.98 137.8 22.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.387 1.73 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -158.5 120.76 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -74.75 125.54 89.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.01 117.61 4.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 53.2 t80 36.31 44.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.11 121.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 4.9 mm-40 -137.55 -77.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 0.805 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.443 ' N ' HD11 ' A' ' 56' ' ' ILE . 15.3 t -178.28 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 104.02 48.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.372 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 67.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.1 pt -135.85 174.29 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 117.79 64.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.332 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.05 179.978 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -110.63 140.88 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.0 111.73 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.402 ' HG3' ' NE1' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -124.57 101.59 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.86 13.14 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.3 7.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 2.4 mm-40 -128.3 127.27 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 27.8 ptt180 -82.84 121.85 27.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 53.4 m-85 -128.24 142.15 51.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.8 -177.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -79.1 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -57.29 -18.14 15.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 126.28 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.4 t -114.11 134.44 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.502 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 26.5 p90 -133.07 140.59 47.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 99.92 41.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.74 2.39 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ARG . 74.0 mt-10 -136.02 147.47 60.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.687 ' C ' HD12 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -114.31 -22.18 10.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 tpp180 -134.8 133.54 39.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.49 139.71 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -121.54 149.5 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.1 p -157.31 138.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 43.0 t -83.27 70.04 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 125.6 30.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.589 HG22 ' O ' ' A' ' 35' ' ' THR . 24.9 m 63.32 25.23 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.45 -8.95 62.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.423 1.077 . . . . 0.0 111.04 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -99.85 142.01 31.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.502 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 59.7 t -83.72 92.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.94 123.72 46.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.78 127.91 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -114.83 174.0 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.22 133.34 34.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.687 HD12 ' C ' ' A' ' 27' ' ' PRO . 48.6 mt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 p . . . . . 0 N--CA 1.454 -0.248 0 N-CA-C 109.961 -0.385 . . . . 0.0 109.961 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.02 138.12 22.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -155.63 119.99 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 tt -80.96 122.5 81.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.2 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PRO . 20.6 t80 36.85 43.8 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.75 113.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 2.8 mt-10 -136.22 -135.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 0.712 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.6 m -130.47 19.4 5.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 90.44 5.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 55.39 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.46 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 3.3 pt -139.9 178.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.62 117.72 65.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.945 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.41 154.31 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.257 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.3 m -107.31 111.15 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.04 99.77 7.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.72 8.19 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.77 22.81 8.19 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 2.6 tt0 -119.05 131.39 55.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -82.71 133.39 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 15' ' ' GLN . 25.9 m-85 -132.57 123.91 27.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -56.15 175.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -76.11 -68.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.5 tmtt? -48.78 -23.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' ASP . 5.7 m-20 -60.26 100.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 32' ' ' VAL . 98.8 t -104.27 129.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 27.0 p90 -128.12 147.71 50.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.575 ' CD ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.79 100.15 49.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 10.4 mt-10 -130.78 150.61 76.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.3 Cg_endo -74.95 -11.39 21.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -117.87 -3.85 11.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.04 128.39 34.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD ' ' A' ' 24' ' ' LYS . 1.8 pt -111.69 139.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 133.37 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 1.001 HG23 HG22 ' A' ' 22' ' ' VAL . 4.3 p -142.46 141.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 19' ' ' ASP . 3.0 t -96.53 119.09 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -116.55 108.09 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' THR . 89.2 m 62.93 23.33 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.76 -1.1 56.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -101.78 114.58 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.359 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.528 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 2.0 p -94.77 110.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -115.79 131.63 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.86 127.82 46.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -128.74 173.43 10.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.616 1.198 . . . . 0.0 109.23 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.97 148.48 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.1 tt . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.6 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.973 -0.381 . . . . 0.0 109.973 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 138.93 23.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.583 1.833 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -156.98 121.17 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -74.72 121.17 84.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.97 110.64 3.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 39.6 t80 48.28 48.66 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 54.99 116.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 8.0 mm-40 -141.35 -149.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 93.5 m -112.5 -18.07 12.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -112.98 95.72 35.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.11 3.53 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -133.94 173.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 4.3 t -98.05 117.41 65.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.311 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.359 1.107 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.95 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.034 -0.358 . . . . 0.0 110.034 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.26 138.38 46.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.7 110.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -127.51 114.15 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 60.49 14.94 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.07 39.43 6.94 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -137.95 130.76 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 0.826 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.63 118.47 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -120.53 148.31 44.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.3 t-20 -75.16 167.85 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -72.89 -68.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.04 -22.29 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.05 100.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.833 HG12 HG23 ' A' ' 32' ' ' VAL . 32.8 m -98.75 137.73 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 21.0 p90 -139.17 143.48 38.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.009 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.522 ' CE ' ' HA ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.25 100.83 42.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 16.1 mm-40 -123.42 151.73 63.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.01 -11.45 21.47 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 23.5 m -120.27 -1.21 10.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -134.02 128.39 34.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.878 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -113.47 129.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.878 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.1 m -111.7 136.28 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 22' ' ' VAL . 2.5 p -144.36 137.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' ASP . 48.1 t -92.25 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -116.32 119.65 36.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 m 60.64 22.56 12.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.32 1.94 66.26 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 m -106.04 118.27 36.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 1.8 p -93.12 124.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -133.9 152.71 51.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -118.71 128.57 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.502 ' OD1' HD11 ' A' ' 39' ' ' LEU . 2.8 m-20 -117.19 169.13 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.61 131.31 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' CYS . 56.5 mt . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 t . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.982 -0.377 . . . . 0.0 109.982 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 146.3 32.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.49 120.26 4.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.5 tt -93.59 120.87 65.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.04 122.17 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PRO . 22.3 t80 36.66 40.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.61 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mt-10 -135.23 -139.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' ILE . 27.2 m -122.03 0.83 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 56' ' ' ILE . 78.0 m -123.46 87.64 51.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.22 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -147.56 178.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.197 . . . . 0.0 109.288 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.8 t -97.81 117.75 64.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.964 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.18 133.99 55.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 0.0 108.352 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.5 p -100.51 111.25 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -115.43 100.63 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.38 11.72 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.36 26.96 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.5 126.51 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 123.0 28.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -130.52 160.7 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 21' ' ' ASP . 4.1 m-20 -56.1 -175.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -80.69 -60.72 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -82.1 -2.43 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -38.35 155.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.95 142.49 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.462 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 32.8 p90 -150.54 143.2 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -109.86 100.19 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.54 2.5 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ARG . 18.3 mm-40 -134.73 154.81 79.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 18.5 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 43' ' ' ILE . 20.3 m -116.53 -6.94 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -134.05 126.46 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 43' ' ' ILE . 7.3 pt -117.79 126.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' TRP . 1.5 m -112.04 131.48 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.75 119.37 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 19' ' ' ASP . 40.4 t -68.36 121.61 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 108.322 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.08 118.29 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 35' ' ' THR . 97.8 m 55.91 17.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.01 6.81 51.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 m -107.31 126.45 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 0.716 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.462 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 46.6 t -80.27 93.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.31 130.28 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 129.65 56.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.41 167.95 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.64 156.89 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' A' ' 61' ' ' CYS . 2.4 mm . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.029 -0.359 . . . . 0.0 110.029 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.07 153.21 41.3 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.43 ' C ' HD12 ' A' ' 56' ' ' ILE . 3.5 tt0 -147.06 120.59 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CA ' ' A' ' 63' ' ' PRO . 1.7 mp -109.06 101.03 43.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD2' ' HG3' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -75.01 111.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 30.9 t80 40.41 39.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.584 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 56.75 118.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HD2' ' A' ' 57' ' ' PRO . 2.1 mt-10 -134.91 -144.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HG21 ' A' ' 43' ' ' ILE . 67.5 m -115.65 -6.48 12.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.33 88.02 21.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CA ' HD11 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -74.96 55.8 4.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CG2' ' C ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -151.28 178.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 53' ' ' SER . 2.0 t -97.61 117.94 64.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.91 132.15 51.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' VAL . 3.4 m -101.28 111.35 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.1 tm0? -111.56 97.91 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.22 11.81 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.44 25.96 6.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.0 mt-30 -120.0 130.26 54.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.78 128.08 34.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.1 m-85 -138.13 157.41 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.93 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -84.22 -61.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -82.33 -3.7 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.733 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.1 p -138.43 141.34 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 31.6 p90 -143.08 148.16 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 108.047 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 100.36 47.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' ARG . 50.5 mm-40 -143.78 156.2 59.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 Cg_endo -75.09 -8.22 19.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.9 -8.25 11.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.0 125.82 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.853 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -116.95 131.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 30' ' ' ILE . 74.1 m -120.25 141.32 50.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.733 ' HB ' HG23 ' A' ' 22' ' ' VAL . 2.9 p -152.19 121.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -69.71 128.42 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.36 94.92 4.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' THR . 23.9 m 61.96 25.45 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.405 ' CA ' ' SG ' ' A' ' 33' ' ' CYS . . . 111.12 -19.58 24.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -83.38 110.38 18.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 88.2 t -81.1 97.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -98.6 152.46 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.622 ' N ' HD12 ' A' ' 39' ' ' LEU . 82.0 m -136.48 128.09 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.95 166.52 18.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.75 143.5 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.3 tt . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.03 142.75 28.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -157.39 121.56 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.881 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -71.78 113.75 22.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.96 4.44 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.568 1.825 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 21.8 t80 39.95 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.13 90.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -117.37 -171.63 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 95.0 m -105.67 -21.01 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.0 m -108.01 102.24 44.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 108.368 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.881 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -75.01 55.74 4.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.483 1.78 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -137.05 174.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -98.02 116.73 65.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 111.057 179.971 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.983 -0.376 . . . . 0.0 109.983 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -108.91 126.26 52.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -101.64 111.57 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -124.49 97.87 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.76 5.57 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.64 18.81 10.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 4.0 mt-30 -114.77 132.91 56.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -82.9 120.05 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 31.8 m-85 -134.51 157.39 46.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.12 -176.48 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.448 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -81.64 -68.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -23.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.81 128.52 36.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 32' ' ' VAL . 3.1 m -118.92 135.61 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.799 ' HH2' HG22 ' A' ' 38' ' ' VAL . 35.3 p90 -127.39 148.3 50.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 108.01 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 100.16 40.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.396 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -37.13 2.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 4.9 mt-10 -131.95 156.44 80.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.55 20.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 43' ' ' ILE . 53.7 t -123.0 0.97 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 11.7 tpp180 -133.68 135.53 44.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.715 ' C ' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.76 127.88 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 30' ' ' ILE . 9.8 m -110.98 141.83 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -146.93 139.69 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.448 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.3 t -93.73 102.18 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.1 110.43 20.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m 73.87 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.436 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.43 5.94 88.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.412 1.07 . . . . 0.0 110.963 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.33 52.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.799 HG22 ' HH2' ' A' ' 23' ' ' TRP . 39.1 t -81.1 92.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 40' ' ' CYS . 3.1 tp -101.01 129.69 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.76 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -112.27 127.88 56.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.49 152.16 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.1 139.11 39.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 28' ' ' CYS . 15.2 mt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 110.02 -0.363 . . . . 0.0 110.02 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.91 122.09 7.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -147.27 139.16 24.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.28 112.75 14.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 55' ' ' GLU . 18.5 Cg_endo -74.94 115.97 4.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 16.4 t80 41.09 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 32.24 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.64 -171.54 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.3 t -106.1 -22.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.86 105.47 53.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 108.249 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.06 55.41 3.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.565 1.824 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -124.78 166.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.48 117.62 65.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 108.308 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.006 -179.96 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 109.985 -0.376 . . . . 0.0 109.985 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.83 129.19 54.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -96.55 111.66 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 5.9 tm0? -123.99 100.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.62 11.14 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.08 26.77 8.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 30.0 mt-30 -120.25 121.11 37.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.88 114.07 20.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 62.2 m-85 -117.88 160.75 20.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.47 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -78.17 -64.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ASP . 2.7 ttpp -79.55 -2.62 43.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -36.5 143.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 32' ' ' VAL . 99.3 t -123.82 138.94 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.0 p90 -150.65 145.63 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -110.44 100.71 46.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.55 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.6 mt-10 -124.21 149.81 61.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.93 -9.47 20.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.525 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -117.43 -7.64 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.19 128.97 33.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.1 tt -112.53 133.42 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 m -114.32 143.27 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 22' ' ' VAL . 2.4 p -150.52 121.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 19' ' ' ASP . 35.6 t -74.86 125.91 29.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.47 98.45 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 35' ' ' THR . 53.2 m 61.47 23.65 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.96 -17.23 27.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.423 1.077 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -84.16 111.23 19.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HH2' ' A' ' 23' ' ' TRP . 76.3 t -86.21 93.79 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -106.07 152.1 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.663 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -124.94 127.83 47.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.314 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -106.43 146.38 30.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.76 155.49 40.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 61' ' ' CYS . 93.9 mt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 p . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.948 -0.39 . . . . 0.0 109.948 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.511 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 17.9 Cg_endo -75.1 122.2 7.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.767 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.14 137.89 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.98 113.7 22.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -74.94 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 59' ' ' GLY . 22.6 t80 42.75 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.26 90.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 10.1 mm-40 -121.34 -171.7 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.557 ' HB3' HG22 ' A' ' 43' ' ' ILE . 43.8 t -106.57 -16.9 14.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.1 p -111.55 98.42 40.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.967 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 55.35 3.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -139.96 178.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . 0.4 ' N ' ' HA ' ' A' ' 54' ' ' PRO . 1.4 p -99.16 117.02 64.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 111.004 179.942 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.424 ' CB ' ' HG2' ' A' ' 16' ' ' ARG . 73.2 p . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -116.31 149.17 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 p -100.57 111.55 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.93 100.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.64 9.96 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.1 26.33 7.91 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.526 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -120.72 126.02 49.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 0.693 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -82.74 112.45 19.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.2 m-85 -120.63 129.63 53.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.8 166.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -72.97 -68.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -48.02 -24.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.84 148.85 51.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 32' ' ' VAL . 85.4 t -137.7 132.78 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.756 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 43.9 p90 -121.95 148.8 44.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.945 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.82 99.77 39.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.91 2.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 11.0 mm-40 -133.49 155.42 80.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.25 19.86 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.64 ' C ' HD12 ' A' ' 43' ' ' ILE . 43.5 t -124.33 1.24 8.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 108.232 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.4 136.5 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' HD2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -122.77 144.64 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.87 141.5 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 22' ' ' VAL . 1.5 p -145.74 133.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 51.0 t -82.55 116.81 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.281 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.0 t70 -116.82 111.58 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 p 38.08 76.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.15 22.13 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.0 m -138.53 102.91 4.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.432 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.3 p -94.72 136.7 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.17 143.8 46.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.75 127.89 54.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 108.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.19 148.01 36.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.2 160.14 31.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 28' ' ' CYS . 73.4 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.93 134.65 18.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.81 124.28 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -72.05 120.76 82.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -75.04 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 46.0 t80 46.53 49.7 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.51 119.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 28.1 mm-40 -145.35 -150.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB3' HG22 ' A' ' 43' ' ' ILE . 5.3 t -112.65 -16.2 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.5 m -116.67 98.21 51.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.484 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.3 pt -135.61 178.23 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 44.3 t -97.63 117.53 65.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.325 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 -179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.027 -0.36 . . . . 0.0 110.027 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m -110.4 140.01 45.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 108.341 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -96.88 111.58 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.2 tm0? -124.76 103.0 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.63 13.24 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.68 31.47 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -131.37 127.38 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 116.53 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.3 m-85 -119.09 144.21 46.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -54.56 -170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' CYS . 76.7 m-20 -87.43 -68.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.26 -16.04 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -59.36 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.639 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.4 p -110.99 156.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 23.8 p90 -150.08 148.49 29.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 101.35 43.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -141.54 148.66 51.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 52.96 3.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.46 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.22 132.78 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 43' ' ' ILE . 1.1 pp -110.26 160.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.43 136.19 23.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' ASP . 7.7 p -143.85 134.66 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' ASP . 24.7 t -68.7 70.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' VAL . 54.2 t0 -78.89 124.1 27.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.545 HG22 ' O ' ' A' ' 35' ' ' THR . 53.8 m 61.02 27.31 17.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.8 -6.17 67.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.0 m -101.78 143.97 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.96 91.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -104.65 132.28 51.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -101.44 129.76 47.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.48 156.57 18.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.96 160.1 28.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 28' ' ' CYS . 16.1 mt . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.054 -0.35 . . . . 0.0 110.054 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.06 137.49 21.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.63 131.95 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG23 ' HA2' ' A' ' 59' ' ' GLY . 1.2 tt -78.89 121.6 83.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.08 121.39 6.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' PRO . 10.6 t80 35.72 40.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 2.5 mm-40 -134.7 -75.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 110.235 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.51 -38.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.0 m -107.36 103.31 48.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.83 5.24 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -126.3 169.92 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.95 117.99 64.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.991 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.01 120.34 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.5 m -99.39 111.18 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.3 tm0? -110.16 97.96 7.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.36 11.57 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.57 25.15 6.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -119.87 135.09 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -82.9 118.77 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -134.79 153.22 52.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -164.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 9.2 m-20 -88.85 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -64.35 -12.59 43.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.99 112.37 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.6 p -99.05 150.98 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 27.3 p90 -144.51 151.61 39.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 101.51 43.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -39.95 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -143.59 149.26 46.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.96 3.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.798 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.4 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -124.39 132.65 53.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG12 ' A' ' 43' ' ' ILE . 2.0 pp -107.01 153.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 91.5 m -139.8 132.06 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 108.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.728 ' HB ' HG23 ' A' ' 22' ' ' VAL . 7.6 p -145.81 143.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -78.96 68.57 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 108.235 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.73 129.49 37.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.594 1.184 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 53.9 m 60.2 25.85 15.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.4 ' C ' ' SG ' ' A' ' 33' ' ' CYS . . . 83.94 -11.02 58.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -98.13 138.03 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.15 91.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tp -105.91 149.49 26.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 55.9 m -122.9 132.74 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -108.79 162.98 13.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.32 126.92 35.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 28' ' ' CYS . 56.3 mt . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.968 -0.382 . . . . 0.0 109.968 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.413 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 126.28 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.68 126.47 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.44 HG23 ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -72.05 119.22 73.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.97 121.88 6.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t80 36.4 40.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.71 118.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.21 -76.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.87 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.72 106.06 58.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 108.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.75 6.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -129.8 178.25 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 117.85 64.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.359 1.128 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.984 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 14.3 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.041 -0.355 . . . . 0.0 110.041 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -109.44 159.35 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -103.35 111.71 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -124.5 98.94 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 5.35 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.51 20.48 10.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.08 129.22 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 7.6 tmm_? -82.95 113.07 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.8 m-85 -111.08 144.37 40.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.54 -172.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 33' ' ' CYS . 74.2 m-20 -77.87 -68.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -15.14 30.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.67 103.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.7 p -98.89 145.69 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -145.46 152.9 40.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.62 101.53 43.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.47 146.16 58.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 51.83 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -36.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 108.241 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 131.01 53.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.54 160.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.9 m -146.76 131.18 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 33' ' ' CYS . 8.0 p -130.88 172.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.58 ' H ' HG22 ' A' ' 32' ' ' VAL . 2.3 t -108.28 66.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.337 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.94 128.62 37.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 35' ' ' THR . 92.8 m 51.29 29.02 4.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.7 -13.9 54.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' ASP . 27.8 m -86.91 132.54 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.76 91.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 39' ' ' LEU . 1.2 mm? -102.29 152.01 21.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -118.73 127.71 53.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -110.07 144.2 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.44 126.29 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 137.12 21.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.62 124.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -75.15 124.83 89.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.95 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 24.5 t80 35.43 41.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.43 119.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.02 -75.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.47 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 48.4 t -178.57 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 102.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HA ' ' CB ' ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 69.3 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -131.54 176.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.44 127.32 36.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.077 179.951 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.005 -0.368 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.1 m -110.89 157.38 19.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.348 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 11' ' ' VAL . 3.1 m -109.65 111.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.87 98.02 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.52 9.95 7.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.11 23.62 7.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm-40 -122.21 139.15 54.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -82.76 122.66 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 34.6 m-85 -133.32 128.53 35.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -52.69 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -86.95 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -50.7 -22.67 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.211 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.43 149.73 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 30' ' ' ILE . 2.8 p -136.05 141.38 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.485 ' HZ2' HG13 ' A' ' 38' ' ' VAL . 32.9 p90 -137.22 149.14 46.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.42 101.47 42.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.54 148.42 67.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.2 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -169.52 -37.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 132.22 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -108.77 142.09 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' HD13 ' A' ' 30' ' ' ILE . 25.4 m -116.22 132.43 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 39' ' ' LEU . 3.1 p -133.19 150.03 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.2 t -99.72 105.69 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 108.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.63 106.07 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m 67.89 28.14 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.93 -3.24 87.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -91.57 114.04 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 0.736 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.485 HG13 ' HZ2' ' A' ' 23' ' ' TRP . 90.3 t -83.69 91.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.997 HD22 ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -109.15 151.76 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.997 ' N ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -121.17 137.0 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.4 134.98 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -86.99 133.14 33.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 2.6 tt . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.01 -0.367 . . . . 0.0 110.01 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 138.64 23.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -155.98 122.66 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.67 HD12 ' CA ' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -78.87 125.5 83.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 59' ' ' GLY . 6.0 t80 35.01 45.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.0 123.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 1.5 mm-40 -138.04 -74.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 37.2 t 178.73 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 104.47 49.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.67 ' CA ' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 66.93 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -140.12 170.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 13.3 t -97.95 117.89 64.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.358 1.073 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 179.994 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.002 -0.369 . . . . 0.0 110.002 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.428 ' SG ' HG22 ' A' ' 38' ' ' VAL . 1.4 p -110.86 159.03 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -104.04 111.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 1.2 tm0? -123.09 97.82 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.0 5.26 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.66 19.77 10.78 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.502 1.126 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -119.27 128.29 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -82.95 114.56 21.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 50.0 m-85 -113.44 142.68 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.69 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -68.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.663 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -62.06 -14.92 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.21 114.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 20' ' ' LYS . 5.9 m -106.0 150.82 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 28.6 p90 -145.74 146.86 31.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 101.33 43.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -142.49 149.85 52.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 52.59 3.09 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 43' ' ' ILE . 48.6 t -169.51 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.27 126.84 47.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.939 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pp -109.17 147.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -126.91 133.01 50.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 108.281 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 22' ' ' VAL . 7.3 p -135.78 149.6 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.22 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.77 65.55 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 108.384 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 127.64 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 35' ' ' THR . 50.0 m 56.28 26.79 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.23 -17.14 44.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -87.7 133.82 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 0.811 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 95.9 t -81.44 91.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 39' ' ' LEU . 4.3 mt -99.81 142.5 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.19 127.98 55.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -107.77 159.73 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 121.71 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.939 HD11 HG23 ' A' ' 30' ' ' ILE . 40.0 mt . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.024 -0.361 . . . . 0.0 110.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -157.74 122.14 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.97 121.93 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.93 122.8 7.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.1 m-85 33.69 40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.15 119.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.62 -76.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -178.32 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.72 106.04 57.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.53 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.9 178.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.63 117.7 65.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.6 m -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -96.82 111.66 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 100.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.57 12.58 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.8 28.87 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -131.07 133.96 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.94 124.63 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 52.6 m-85 -129.58 126.48 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.58 172.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -73.73 -68.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -53.49 -20.66 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.44 117.37 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.2 p -105.17 152.78 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -145.13 148.24 33.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 101.35 43.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.37 145.9 57.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 51.92 2.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.825 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.72 -36.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.58 132.77 53.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.551 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pp -108.78 157.78 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.64 136.47 29.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 22' ' ' VAL . 9.2 p -135.54 162.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.4 t -100.98 115.97 31.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -116.21 110.89 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 m 57.63 28.91 16.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.75 7.33 71.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.4 m -108.21 129.66 55.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.45 102.68 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.56 130.86 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.98 128.12 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 108.363 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.45 153.67 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.14 160.28 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.825 HD12 ' C ' ' A' ' 28' ' ' CYS . 14.7 mt . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 109.957 -0.386 . . . . 0.0 109.957 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.96 22.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.0 120.84 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.8 tt -74.06 125.12 90.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.02 121.87 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 42.2 t80 35.35 39.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.59 -76.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . 0.511 ' N ' HD11 ' A' ' 56' ' ' ILE . 18.8 t -178.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.15 102.25 45.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 71.85 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 pt -129.56 177.24 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.49 117.95 63.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.962 -0.385 . . . . 0.0 109.962 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.419 ' SG ' HG23 ' A' ' 38' ' ' VAL . 5.1 m -110.51 141.35 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.2 t -97.02 111.92 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -130.13 98.04 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.16 7.19 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.72 21.42 11.3 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.56 1.162 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.535 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -118.44 120.05 36.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -82.92 106.5 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 89.9 m-85 -105.76 162.0 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.39 -161.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 33' ' ' CYS . 2.9 t0 -88.64 -68.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -61.91 -14.46 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 127.52 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 32' ' ' VAL . 92.8 t -114.21 153.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 31' ' ' CYS . 35.1 p90 -141.05 152.76 45.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 108.045 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.29 100.99 40.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.444 1.76 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -144.11 153.23 56.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.41 1.069 . . . . 0.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' GLU . 18.1 Cg_endo -75.03 54.52 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.835 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.24 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.45 134.13 53.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.481 HG22 ' HD2' ' A' ' 24' ' ' LYS . 1.1 pt -113.95 148.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 1.2 m -127.22 147.42 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.805 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.0 p -155.0 129.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASP . 26.2 t -69.84 67.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 108.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' VAL . 24.4 t70 -76.78 124.88 28.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' THR . 86.5 m 61.98 26.95 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.457 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.83 -5.76 64.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 m -103.14 140.69 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.379 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' SG ' ' A' ' 10' ' ' CYS . 42.5 t -81.81 91.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.1 124.67 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -100.14 128.24 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.368 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.23 161.61 14.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.76 135.93 34.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.835 HD12 ' CA ' ' A' ' 28' ' ' CYS . 48.8 mt . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.502 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 136.04 19.8 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -155.67 138.72 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.37 114.04 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.02 120.63 6.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.772 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 28.9 t80 35.19 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.02 120.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' PRO . 1.3 mm-40 -135.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 t 179.76 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 108.359 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.78 119.16 29.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 73.09 4.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.502 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -130.01 169.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -97.4 117.66 65.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.909 -179.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.452 -0.352 0 N-CA-C 110.06 -0.348 . . . . 0.0 110.06 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 m -110.2 141.78 42.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.6 t -99.6 111.87 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.0 101.61 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.47 7.95 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.18 24.88 9.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 3.2 mm100 -120.34 119.64 33.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -82.91 120.86 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 82.3 m-85 -120.91 142.06 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -52.07 -176.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -68.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -63.1 -13.6 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 104.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 1.199 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.3 t -98.87 138.81 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 21.7 p90 -143.54 147.52 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.502 ' CB ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.89 101.34 43.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.423 1.749 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -129.76 145.89 58.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.08 51.92 2.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.834 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.97 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.71 HH21 ' H ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -124.12 131.61 53.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pt -115.62 131.81 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.23 138.1 41.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.734 ' CG2' HG22 ' A' ' 22' ' ' VAL . 1.7 p -138.58 129.46 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.57 61.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -73.04 124.16 24.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.228 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 35' ' ' THR . 24.7 m 61.63 28.59 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.365 1.041 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.47 71.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -104.93 129.48 53.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.2 p -92.0 101.63 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -112.54 142.1 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.6 128.41 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.06 162.81 16.5 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.418 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 6.1 m-20 -74.56 134.88 42.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 30' ' ' ILE . 98.3 mt . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p . . . . . 0 N--CA 1.452 -0.36 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 139.43 24.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -158.66 124.91 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.2 tt -78.07 123.85 86.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.03 118.53 5.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 11.0 t80 35.7 43.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.27 121.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -136.42 -76.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.346 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -178.96 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 108.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -106.03 104.14 48.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.316 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 64.75 6.09 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.4 OUTLIER -135.83 168.81 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.85 121.78 56.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 135.53 51.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.366 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.71 111.73 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tm0? -123.45 97.82 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.67 8.66 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.89 21.23 9.78 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.28 130.39 55.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 0.806 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.07 109.21 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -113.17 161.32 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.49 -169.8 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 7.0 m-20 -86.71 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -62.57 -14.25 40.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.91 124.49 20.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.931 ' CG2' HD11 ' A' ' 30' ' ' ILE . 6.1 p -110.04 148.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.2 p90 -149.86 146.71 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 100.79 42.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.417 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.35 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -135.75 147.72 62.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -74.95 52.76 3.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.657 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.79 -36.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.84 131.98 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.931 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.14 137.95 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.432 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -113.87 136.82 52.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.99 126.0 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 15.2 t -70.33 70.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.58 124.47 27.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m 58.24 26.08 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.1 -18.3 41.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -86.12 126.06 33.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.573 0.808 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.27 93.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.885 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -108.92 149.48 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.885 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -114.73 128.82 56.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.0 t70 -105.46 165.34 11.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 p30 -88.31 127.1 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' CYS . 62.8 mt . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.257 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.0 143.79 29.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' ILE . 5.6 tt0 -158.97 125.7 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -84.31 124.42 73.87 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 59' ' ' GLY . 22.5 t80 35.2 43.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.63 121.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' PRO . 1.6 mm-40 -135.79 -75.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.6 t -179.32 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 108.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.95 101.04 42.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.7 pt -135.15 177.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.72 117.51 65.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.361 1.209 0 O-C-N 124.449 1.762 . . . . 0.0 110.982 -179.99 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 1.2 m -115.54 136.6 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.8 t -98.87 111.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.6 tm0? -129.09 98.47 4.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.88 5.64 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.35 20.48 11.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.81 122.97 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -82.89 123.89 29.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 80.3 m-85 -128.28 147.95 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -87.84 -63.12 1.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.04 -9.82 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -59.45 112.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 ' CG2' ' A' ' 32' ' ' VAL . 59.8 t -99.98 142.67 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 34.6 p90 -133.7 149.53 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.33 100.71 42.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -139.71 150.83 64.41 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.474 1.776 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . 0.885 ' C ' HD12 ' A' ' 43' ' ' ILE . 44.4 t -169.53 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -122.72 131.79 53.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ILE . . . . . 0.823 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pt -112.09 154.02 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -139.5 146.28 39.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.3 p -153.01 147.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.7 t -81.4 64.78 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 108.335 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.7 121.52 19.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m 60.28 26.12 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.3 54.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.68 142.26 27.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 85.5 t -85.85 91.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.04 130.14 51.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.05 128.01 46.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.44 149.81 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -74.53 160.05 31.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.885 HD12 ' C ' ' A' ' 28' ' ' CYS . 40.1 mt . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.981 -0.377 . . . . 0.0 109.981 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.451 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.95 133.97 17.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -150.5 131.24 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -71.59 119.25 72.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.99 121.84 6.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.5 m-85 33.56 42.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.78 120.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.638 1.211 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.77 -74.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.268 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.3 t -179.49 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.31 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.424 ' O ' ' SG ' ' A' ' 62' ' ' CYS . 12.6 p -115.58 113.12 42.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.79 3.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.571 1.827 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.451 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -132.79 161.45 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 137.15 20.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 108.368 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.941 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 9.5 t80 . . . . . 0 N--CA 1.454 -0.251 0 CA-C-O 120.431 0.158 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.732 ' O ' HG23 ' A' ' 2' ' ' VAL . 5.9 m -83.68 64.34 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.56 1.163 . . . . 0.0 109.314 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 49.85 86.89 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 110.299 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -103.44 155.63 18.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.511 1.132 . . . . 0.0 110.966 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -109.73 136.82 48.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.296 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.2 pt-20 -153.93 131.76 11.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.339 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 60.87 150.02 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.248 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -92.94 -51.51 2.26 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.562 1.164 . . . . 0.0 110.994 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.6 p -47.59 147.15 1.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 110.04 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.423 ' SG ' HG23 ' A' ' 38' ' ' VAL . 15.0 m -120.1 135.01 55.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.119 . . . . 0.0 108.207 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.6 t -97.17 111.79 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.135 . . . . 0.0 109.341 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.3 tm0? -121.01 97.93 5.75 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.475 1.109 . . . . 0.0 110.211 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.5 t0 70.43 7.61 6.28 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.47 21.9 8.97 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.481 1.113 . . . . 0.0 110.996 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.551 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 53.1 mt-30 -114.83 123.48 49.29 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 0.763 . . . . 0.0 110.322 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.08 111.02 18.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.551 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.6 m-85 -118.58 160.16 22.28 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.489 1.118 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.492 ' CG ' ' N ' ' A' ' 19' ' ' ASP . 10.3 t30 -78.45 164.76 24.49 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.525 1.14 . . . . 0.0 109.261 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.492 ' N ' ' CG ' ' A' ' 18' ' ' ASN . 0.4 OUTLIER -71.72 -57.18 4.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.095 . . . . 0.0 109.33 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' N ' ' OD2' ' A' ' 19' ' ' ASP . 4.0 tttt -60.31 -21.86 62.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.456 1.097 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.68 150.62 40.49 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.451 1.095 . . . . 0.0 109.318 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.676 HG22 ' CG2' ' A' ' 32' ' ' VAL . 53.9 t -132.5 133.54 59.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.53 1.144 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.78 ' HH2' HG22 ' A' ' 38' ' ' VAL . 30.2 p90 -129.67 142.68 50.68 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 107.956 -1.127 . . . . 0.0 107.956 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.01 100.07 41.88 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.338 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -36.44 2.52 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.442 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.9 mt-10 -129.54 144.81 54.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.293 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.402 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.8 Cg_endo -74.9 -1.61 11.42 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.503 1.791 . . . . 0.0 111.067 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.663 ' CA ' HD12 ' A' ' 43' ' ' ILE . 84.4 m -115.91 -19.21 10.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 108.354 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.3 133.48 38.91 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.444 1.09 . . . . 0.0 110.31 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 1.1 pt -108.42 151.4 10.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -131.18 148.12 52.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 108.329 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.676 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.5 p -152.97 143.06 14.92 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 O-C-N 124.491 1.12 . . . . 0.0 109.336 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.436 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.5 t -92.58 65.76 4.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 108.344 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -78.05 125.18 28.97 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.481 ' O ' HG22 ' A' ' 35' ' ' THR . 96.4 m 65.18 28.06 12.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.115 . . . . 0.0 110.356 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 77.81 1.33 77.9 Favored Glycine 0 CA--C 1.529 0.928 0 O-C-N 124.567 1.167 . . . . 0.0 111.033 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 96.1 m -109.38 136.29 49.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.428 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.78 HG22 ' HH2' ' A' ' 23' ' ' TRP . 57.6 t -81.32 93.74 2.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.5 tp -96.33 118.4 32.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.574 1.171 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.23 127.98 53.62 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 108.323 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.04 147.55 50.52 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.541 1.15 . . . . 0.0 109.294 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.63 157.84 13.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.663 HD12 ' CA ' ' A' ' 28' ' ' CYS . 47.5 mt -89.59 98.9 8.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.125 . . . . 0.0 109.254 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.0 pt -93.21 110.26 22.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.558 1.161 . . . . 0.0 109.242 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 4.3 m -89.91 171.18 9.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 108.266 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -53.67 159.0 1.7 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.563 1.165 . . . . 0.0 110.289 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 177.92 -161.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.439 1.087 . . . . 0.0 109.337 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.59 HG13 ' N ' ' A' ' 49' ' ' LYS . 0.3 OUTLIER -86.75 -170.88 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.561 1.163 . . . . 0.0 109.268 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.59 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -114.08 -78.07 0.58 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.288 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.95 -66.06 0.43 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.456 1.097 . . . . 0.0 109.256 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.489 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 0.1 OUTLIER 44.25 -153.17 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.549 1.155 . . . . 0.0 108.348 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.4 tt -137.08 -71.14 0.44 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -141.79 146.57 41.63 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.994 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.487 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -74.98 133.64 16.87 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.48 1.779 . . . . 0.0 111.011 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -149.61 135.42 18.66 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 110.297 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.814 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -92.76 121.26 66.37 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.294 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 112.64 3.6 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.531 1.806 . . . . 0.0 110.978 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.567 ' CG ' ' N ' ' A' ' 59' ' ' GLY . 5.6 t80 56.26 -95.82 0.06 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.509 1.131 . . . . 0.0 111.015 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.567 ' N ' ' CG ' ' A' ' 58' ' ' PHE . . . -145.58 101.32 0.24 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.556 1.16 . . . . 0.0 110.999 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mm-40 -128.58 -147.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.475 0.75 . . . . 0.0 110.391 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 27' ' ' PRO . 28.8 m -138.23 17.32 2.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.406 1.066 . . . . 0.0 108.309 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.3 OUTLIER -136.11 89.02 20.8 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 108.33 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.814 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.5 Cg_endo -74.89 56.42 4.18 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.516 1.798 . . . . 0.0 110.966 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.487 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.1 OUTLIER -142.85 178.88 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.47 1.106 . . . . 0.0 109.271 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 25.2 p -97.07 117.75 65.45 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 108.324 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.93 168.77 24.09 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.557 1.819 . . . . 0.0 111.001 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.506 ' HB2' ' N ' ' A' ' 48' ' ' VAL . . . -103.16 90.26 3.68 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.29 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -174.86 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.56 1.162 . . . . 0.0 109.314 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.8 pp -90.52 125.36 35.58 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.46 1.1 . . . . 0.0 109.347 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 60.52 74.96 0.43 Allowed 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.501 1.125 . . . . 0.0 109.341 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -107.66 150.53 26.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.318 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -95.33 162.39 13.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.432 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.309 0 CA-C-O 120.512 0.196 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.5 p -161.82 162.56 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -101.0 -59.37 1.71 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.463 1.102 . . . . 0.0 110.285 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -71.49 121.89 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 111.031 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.61 169.67 8.6 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.72 128.71 1.16 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 110.317 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -111.8 113.69 26.2 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.558 1.161 . . . . 0.0 109.295 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -153.26 -65.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.429 1.081 . . . . 0.0 110.991 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.0 t 179.98 153.99 0.53 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 0.739 . . . . 0.0 109.965 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 98.3 m -111.25 145.15 39.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 108.286 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.525 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.0 p -100.17 111.48 29.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.513 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 2.3 tm0? -113.24 98.01 6.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 110.27 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 68.86 9.0 7.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 109.295 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.27 23.3 8.13 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.515 1.135 . . . . 0.0 111.049 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.564 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 18.7 mm-40 -116.01 125.53 52.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.487 0.757 . . . . 0.0 110.31 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.97 110.38 17.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.246 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.564 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.5 m-85 -120.96 142.15 50.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.543 1.152 . . . . 0.0 111.01 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -54.7 -170.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.118 . . . . 0.0 109.345 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 41.1 m-20 -83.25 -68.08 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.416 1.073 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -60.21 -15.83 27.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 109.249 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -57.33 121.32 9.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.462 1.101 . . . . 0.0 109.229 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.539 HG22 ' CG2' ' A' ' 32' ' ' VAL . 21.4 t -107.98 145.72 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 37.1 p90 -134.34 149.76 50.88 Favored 'General case' 0 C--N 1.325 -0.458 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.572 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.72 100.81 40.9 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.536 1.147 . . . . 0.0 109.378 179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.78 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.544 1.813 . . . . 0.0 111.034 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -142.73 152.14 58.66 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 110.321 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 53.87 3.45 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.542 1.811 . . . . 0.0 111.041 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.844 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.22 -36.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 108.341 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -124.05 132.17 53.64 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.754 HG23 HD11 ' A' ' 43' ' ' ILE . 2.8 pt -113.43 147.46 17.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.523 1.14 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.52 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 1.0 OUTLIER -128.81 147.13 50.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.138 . . . . 0.0 108.392 179.898 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.539 ' CG2' HG22 ' A' ' 22' ' ' VAL . 3.7 p -151.23 155.59 7.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 46.1 t -96.27 69.03 2.66 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.493 1.12 . . . . 0.0 108.306 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.9 t0 -83.57 122.3 28.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 109.283 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 18.1 m 63.92 28.69 14.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.463 1.102 . . . . 0.0 110.422 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 76.33 -0.77 62.83 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.499 1.124 . . . . 0.0 111.044 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.7 m -105.99 136.94 44.75 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.44 0.73 . . . . 0.0 110.417 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 78.2 t -80.92 92.01 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.8 tp -101.47 123.55 45.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.255 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -100.22 129.42 46.23 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.541 1.15 . . . . 0.0 108.266 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.402 ' OD1' ' O ' ' A' ' 42' ' ' ASP . 6.3 t70 -104.87 164.87 11.47 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.445 1.091 . . . . 0.0 109.364 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.402 ' O ' ' OD1' ' A' ' 41' ' ' ASP . 21.0 t0 -95.0 137.44 34.05 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.255 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.844 HD12 ' C ' ' A' ' 28' ' ' CYS . 59.9 mt -88.74 99.01 8.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.4 pt -106.55 110.13 30.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.507 1.13 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 2.9 p -98.83 169.25 9.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 108.293 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.51 166.07 2.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -146.65 165.08 30.63 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.343 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.804 HG13 ' H ' ' A' ' 50' ' ' ASP . 3.2 p -151.28 178.14 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.258 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.629 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -49.01 -37.83 21.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.804 ' H ' HG13 ' A' ' 48' ' ' VAL . 0.3 OUTLIER 166.77 -33.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 1.147 . . . . 0.0 109.349 -179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.693 ' HB2' HG11 ' A' ' 48' ' ' VAL . 20.4 t 64.51 166.23 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 108.283 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.8 mt -49.46 -96.74 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 0.0 109.351 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 t -104.68 135.7 19.27 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.035 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.414 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.1 Cg_endo -74.98 137.8 22.23 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.387 1.73 . . . . 0.0 110.955 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -158.5 120.76 3.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.11 . . . . 0.0 110.276 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.443 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -74.75 125.54 89.42 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.2 Cg_endo -75.01 117.61 4.97 Favored 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.508 1.794 . . . . 0.0 110.979 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 53.2 t80 36.31 44.59 0.3 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 111.043 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.11 121.67 0.01 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 4.9 mm-40 -137.55 -77.57 0.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.569 0.805 . . . . 0.0 110.278 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.443 ' N ' HD11 ' A' ' 56' ' ' ILE . 15.3 t -178.28 -38.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 0.0 108.3 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -106.3 104.02 48.25 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 108.372 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 67.22 5.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.512 1.796 . . . . 0.0 110.987 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.414 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.1 pt -135.85 174.29 12.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.53 117.79 64.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 108.332 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 176.16 10.25 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.05 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -68.34 -150.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.432 1.082 . . . . 0.0 109.329 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -138.37 66.71 1.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.148 . . . . 0.0 109.288 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.7 mt 50.77 62.61 2.62 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.466 1.103 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 56.59 173.91 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.555 1.16 . . . . 0.0 109.254 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.551 ' O ' ' HB3' ' A' ' 72' ' ' ALA . . . -84.43 156.27 21.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 71' ' ' ALA . . . 74.94 -59.92 0.53 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.485 1.116 . . . . 0.0 109.339 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.985 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.454 -0.26 0 CA-C-O 120.454 0.168 . . . . 0.0 110.976 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -173.32 134.54 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.319 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -136.31 95.15 3.13 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.574 1.172 . . . . 0.0 110.336 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -115.12 163.47 15.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.163 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 66.9 9.25 6.68 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 110.335 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.46 164.3 21.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 110.35 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -106.94 128.56 54.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.595 1.184 . . . . 0.0 109.361 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.87 63.21 0.7 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -165.17 124.14 1.74 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 0.75 . . . . 0.0 109.996 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 4.3 m -110.63 140.88 44.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 108.304 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 93.1 t -97.0 111.73 27.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.402 ' HG3' ' NE1' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -124.57 101.59 7.21 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.46 1.1 . . . . 0.0 110.335 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 63.86 13.14 7.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.143 . . . . 0.0 109.285 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 98.4 30.3 7.02 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.456 1.098 . . . . 0.0 110.948 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 2.4 mm-40 -128.3 127.27 42.44 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 0.757 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.411 ' O ' ' CG ' ' A' ' 16' ' ' ARG . 27.8 ptt180 -82.84 121.85 27.46 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.437 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 53.4 m-85 -128.24 142.15 51.24 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -59.8 -177.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.413 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -79.1 -65.88 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.327 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -57.29 -18.14 15.25 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.544 1.152 . . . . 0.0 109.353 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -57.36 126.28 26.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.283 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.4 t -114.11 134.44 56.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.502 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 26.5 p90 -133.07 140.59 47.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 107.982 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.12 99.92 41.64 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.282 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.74 2.39 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.499 1.789 . . . . 0.0 110.949 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.418 ' O ' ' O ' ' A' ' 29' ' ' ARG . 74.0 mt-10 -136.02 147.47 60.89 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.487 1.117 . . . . 0.0 110.339 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.687 ' C ' HD12 ' A' ' 43' ' ' ILE . 18.3 Cg_endo -75.0 0.05 9.38 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.525 1.803 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 5.0 m -114.31 -22.18 10.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 108.275 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' O ' ' O ' ' A' ' 26' ' ' GLU . 7.1 tpp180 -134.8 133.54 39.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.459 HD11 ' CG1' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.49 139.71 37.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.534 1.146 . . . . 0.0 109.323 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.418 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -121.54 149.5 43.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 108.276 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.458 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.1 p -157.31 138.58 5.08 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.413 0 O-C-N 124.446 1.091 . . . . 0.0 109.262 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 43.0 t -83.27 70.04 10.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.547 1.154 . . . . 0.0 108.346 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -80.94 125.6 30.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.589 ' O ' HG22 ' A' ' 35' ' ' THR . 24.9 m 63.32 25.23 14.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.522 1.139 . . . . 0.0 110.415 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.45 -8.95 62.97 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.423 1.077 . . . . 0.0 111.04 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.6 m -99.85 142.01 31.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 0.755 . . . . 0.0 110.484 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.502 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 59.7 t -83.72 92.97 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.3 tt -101.94 123.72 46.34 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.587 1.18 . . . . 0.0 109.249 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.408 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -104.78 127.91 52.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 108.325 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -114.83 174.0 6.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.22 133.34 34.06 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.452 1.095 . . . . 0.0 109.317 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.687 HD12 ' C ' ' A' ' 27' ' ' PRO . 48.6 mt -69.31 98.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.364 179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.2 pt -90.36 109.63 21.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.583 1.177 . . . . 0.0 109.294 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 m -89.83 163.59 14.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 108.31 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -56.47 105.81 0.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.432 1.082 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.472 ' CB ' HG13 ' A' ' 64' ' ' ILE . 1.2 p-10 -130.27 6.1 4.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.428 1.08 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.701 ' HB ' ' HB3' ' A' ' 67' ' ' ALA . 39.8 t 65.0 140.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.298 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.75 46.45 1.14 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.503 1.127 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -145.49 27.49 1.24 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 0.0 109.349 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -94.78 158.9 15.3 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 108.293 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.81 -90.11 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.447 1.092 . . . . 0.0 109.294 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 71.2 p -114.89 153.7 46.99 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.115 . . . . 0.0 109.961 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.46 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.02 138.12 22.56 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.446 1.761 . . . . 0.0 111.003 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.4 tm-20 -155.63 119.99 4.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 110.275 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.5 tt -80.96 122.5 81.94 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.489 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.2 Cg_endo -74.99 119.38 5.63 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.528 1.804 . . . . 0.0 111.028 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.411 ' C ' ' O ' ' A' ' 57' ' ' PRO . 20.6 t80 36.85 43.8 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 110.944 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.75 113.39 0.01 OUTLIER Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 2.8 mt-10 -136.22 -135.62 0.15 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.411 0.712 . . . . 0.0 110.305 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 57.6 m -130.47 19.4 5.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.444 1.09 . . . . 0.0 108.277 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -147.24 90.44 5.31 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 108.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 55.39 3.96 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.014 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.472 HG13 ' CB ' ' A' ' 47' ' ' ASP . 3.3 pt -139.9 178.1 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -97.62 117.72 65.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 108.271 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.81 42.96 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.476 1.777 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.701 ' HB3' ' HB ' ' A' ' 48' ' ' VAL . . . -145.33 53.19 1.19 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.534 1.146 . . . . 0.0 109.257 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 13.4 p30 -161.87 49.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.447 1.092 . . . . 0.0 109.293 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 12.9 mt -129.92 79.81 1.92 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.469 1.105 . . . . 0.0 109.319 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -138.17 92.52 2.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.291 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -163.52 -62.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -70.53 166.83 19.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.54 1.15 . . . . 0.0 109.34 179.944 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.471 0.177 . . . . 0.0 110.961 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 7.3 p -125.3 113.95 37.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 109.328 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.3 mt-10 -145.12 -60.26 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 110.363 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 50.24 90.52 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.436 1.085 . . . . 0.0 111.038 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -101.18 130.06 47.21 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.67 111.03 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.467 1.105 . . . . 0.0 110.248 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.65 156.22 2.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 0.0 109.343 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.82 -53.3 0.48 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.957 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 94.8 p -116.35 172.81 6.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 110.029 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.41 154.31 22.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 108.257 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.534 ' O ' HG23 ' A' ' 11' ' ' VAL . 2.3 m -107.31 111.15 34.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.135 . . . . 0.0 109.357 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 5.3 tt0 -115.04 99.77 7.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 69.72 8.19 6.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.77 22.81 8.19 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.584 1.178 . . . . 0.0 110.967 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.531 ' HG2' ' CE2' ' A' ' 17' ' ' TYR . 2.6 tt0 -119.05 131.39 55.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.759 . . . . 0.0 110.393 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 18.6 ptt180 -82.71 133.39 35.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 110.322 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.531 ' CE2' ' HG2' ' A' ' 15' ' ' GLN . 25.9 m-85 -132.57 123.91 27.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.596 1.185 . . . . 0.0 110.943 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -56.15 175.58 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.493 1.12 . . . . 0.0 109.293 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -76.11 -68.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.12 . . . . 0.0 109.271 -179.946 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.627 ' O ' HG23 ' A' ' 22' ' ' VAL . 3.5 tmtt? -48.78 -23.67 1.15 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.314 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.404 ' N ' ' C ' ' A' ' 19' ' ' ASP . 5.7 m-20 -60.26 100.16 0.09 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.303 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 1.001 HG22 HG23 ' A' ' 32' ' ' VAL . 98.8 t -104.27 129.02 57.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.334 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.528 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 27.0 p90 -128.12 147.71 50.55 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 108.003 -1.11 . . . . 0.0 108.003 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.575 ' CD ' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -112.79 100.15 49.99 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -34.35 3.86 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.523 1.802 . . . . 0.0 111.047 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 10.4 mt-10 -130.78 150.61 76.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.34 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.3 Cg_endo -74.95 -11.39 21.58 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.47 1.774 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 97.6 m -117.87 -3.85 11.16 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 108.289 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.459 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.04 128.39 34.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.433 1.083 . . . . 0.0 110.258 -179.931 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.575 HG22 ' CD ' ' A' ' 24' ' ' LYS . 1.8 pt -111.69 139.61 35.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.552 1.158 . . . . 0.0 109.343 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -124.85 133.37 53.12 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.485 1.115 . . . . 0.0 108.285 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.001 HG23 HG22 ' A' ' 22' ' ' VAL . 4.3 p -142.46 141.52 27.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.499 1.124 . . . . 0.0 109.296 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' O ' ' A' ' 19' ' ' ASP . 3.0 t -96.53 119.09 34.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 1.153 . . . . 0.0 108.274 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -116.55 108.09 15.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.547 1.154 . . . . 0.0 109.335 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.404 HG22 ' O ' ' A' ' 35' ' ' THR . 89.2 m 62.93 23.33 13.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 110.411 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 99.76 -1.1 56.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.46 1.1 . . . . 0.0 110.967 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 63.8 m -101.78 114.58 28.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 0.771 . . . . 0.0 110.359 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.528 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 2.0 p -94.77 110.4 23.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.598 1.186 . . . . 0.0 109.308 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 HD23 ' H ' ' A' ' 39' ' ' LEU . 1.8 pt? -115.79 131.63 56.88 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.309 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.5 OUTLIER -99.86 127.82 46.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 108.308 -179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -128.74 173.43 10.33 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.616 1.198 . . . . 0.0 109.23 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -88.97 148.48 23.76 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 0.0 109.347 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.486 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.1 tt -74.42 112.94 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 20.0 pt -94.23 106.94 18.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.313 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -96.75 122.3 39.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.444 1.09 . . . . 0.0 108.306 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -73.15 119.12 16.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.242 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.425 ' O ' ' N ' ' A' ' 67' ' ' ALA . 0.6 OUTLIER -168.45 33.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.368 179.922 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.713 ' HA ' ' HB2' ' A' ' 67' ' ' ALA . 9.7 p -168.9 175.24 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.645 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -111.12 -77.62 0.59 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -147.73 55.45 1.07 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.451 ' HB2' HG21 ' A' ' 48' ' ' VAL . 46.5 t -48.37 163.25 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.109 . . . . 0.0 108.303 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.4 mt -50.26 -76.27 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.6 m -131.1 154.72 82.08 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.973 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.47 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.98 138.93 23.74 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.583 1.833 . . . . 0.0 110.97 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -156.98 121.17 4.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 110.249 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.464 ' CG2' ' HA2' ' A' ' 59' ' ' GLY . 1.0 OUTLIER -74.72 121.17 84.64 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.338 179.935 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.446 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.5 Cg_endo -74.97 110.64 3.16 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.445 1.761 . . . . 0.0 111.007 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.492 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 39.6 t80 48.28 48.66 18.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 111.058 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.47 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 54.99 116.31 0.01 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.506 1.128 . . . . 0.0 110.989 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 8.0 mm-40 -141.35 -149.76 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.529 0.782 . . . . 0.0 110.253 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.445 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 93.5 m -112.5 -18.07 12.51 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.431 1.082 . . . . 0.0 108.341 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.411 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -112.98 95.72 35.43 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 108.31 179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 54.11 3.53 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.47 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -133.94 173.88 13.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.266 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.491 ' O ' HG21 ' A' ' 48' ' ' VAL . 4.3 t -98.05 117.41 65.04 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.148 . . . . 0.0 108.311 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.402 ' HA ' ' HB ' ' A' ' 48' ' ' VAL . 18.5 Cg_endo -74.86 170.77 19.63 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.488 1.783 . . . . 0.0 111.023 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.713 ' HB2' ' HA ' ' A' ' 48' ' ' VAL . . . -101.9 75.94 1.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 1.126 . . . . 0.0 109.337 179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -154.83 -49.25 0.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.434 1.084 . . . . 0.0 109.327 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.613 HD12 ' N ' ' A' ' 70' ' ' ALA . 4.2 pp -66.73 -50.48 62.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.613 ' N ' HD12 ' A' ' 69' ' ' LEU . . . -95.39 156.06 16.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -135.34 92.44 2.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 109.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -91.86 173.96 7.59 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.138 . . . . 0.0 109.371 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.415 1.072 . . . . 0.0 109.267 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 30.8 p90 . . . . . 0 N--CA 1.453 -0.308 0 CA-C-O 120.53 0.205 . . . . 0.0 110.976 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 63.0 t -112.22 100.29 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -105.99 99.08 8.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.584 1.178 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 51.13 94.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.954 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -101.03 -43.54 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.588 1.18 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.25 161.48 27.77 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.327 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -128.71 156.69 43.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.293 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 103.7 74.55 1.0 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.544 1.152 . . . . 0.0 111.023 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.6 m 62.72 157.24 0.06 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.433 0.725 . . . . 0.0 110.034 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -110.26 138.38 46.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 108.34 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 76.4 t -101.7 110.63 28.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.117 . . . . 0.0 109.248 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -127.51 114.15 17.07 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.505 1.128 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 60.49 14.94 5.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 88.07 39.43 6.94 Favored Glycine 0 CA--C 1.531 1.086 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -137.95 130.76 29.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.605 0.826 . . . . 0.0 110.327 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.63 118.47 23.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.259 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 22.6 m-85 -120.53 148.31 44.01 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.992 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.412 ' O ' ' HB3' ' A' ' 33' ' ' CYS . 3.3 t-20 -75.16 167.85 21.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.424 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -72.89 -68.46 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.355 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.514 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.04 -22.29 2.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -64.05 100.17 0.3 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 0.0 109.255 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.833 HG12 HG23 ' A' ' 32' ' ' VAL . 32.8 m -98.75 137.73 25.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 O-C-N 124.517 1.136 . . . . 0.0 109.337 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.522 ' HZ2' HG21 ' A' ' 38' ' ' VAL . 21.0 p90 -139.17 143.48 38.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 108.009 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.522 ' CE ' ' HA ' ' A' ' 27' ' ' PRO . 0.2 OUTLIER -109.25 100.83 42.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 109.313 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -37.35 2.1 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.427 1.751 . . . . 0.0 110.961 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.473 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 16.1 mm-40 -123.42 151.73 63.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.323 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.522 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.01 -11.45 21.47 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.459 1.768 . . . . 0.0 111.004 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 60' ' ' GLU . 23.5 m -120.27 -1.21 10.29 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.524 1.14 . . . . 0.0 108.305 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.1 OUTLIER -134.02 128.39 34.23 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.155 . . . . 0.0 110.33 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.878 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -113.47 129.27 69.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.285 -179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.878 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.1 m -111.7 136.28 51.17 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 108.347 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.833 HG23 HG12 ' A' ' 22' ' ' VAL . 2.5 p -144.36 137.26 22.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.424 ' O ' ' O ' ' A' ' 19' ' ' ASP . 48.1 t -92.25 113.42 25.69 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 108.271 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.0 t0 -116.32 119.65 36.39 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.457 1.098 . . . . 0.0 109.253 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 20.5 m 60.64 22.56 12.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.563 1.164 . . . . 0.0 110.374 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.32 1.94 66.26 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.557 1.161 . . . . 0.0 110.968 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 52.8 m -106.04 118.27 36.18 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.557 0.798 . . . . 0.0 110.368 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.522 HG21 ' HZ2' ' A' ' 23' ' ' TRP . 1.8 p -93.12 124.45 45.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.453 1.096 . . . . 0.0 109.363 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.597 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -133.9 152.71 51.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.112 . . . . 0.0 109.323 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.597 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.5 OUTLIER -118.71 128.57 54.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 108.335 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.502 ' OD1' HD11 ' A' ' 39' ' ' LEU . 2.8 m-20 -117.19 169.13 9.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 109.324 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -83.61 131.31 34.97 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.268 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.4 ' O ' ' O ' ' A' ' 61' ' ' CYS . 56.5 mt -72.3 109.69 4.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 19.2 pt -100.89 107.62 21.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.455 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 0.5 OUTLIER -112.76 110.83 21.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 108.3 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -64.79 145.68 55.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.557 1.161 . . . . 0.0 110.285 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -152.79 89.09 1.37 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 50' ' ' ASP . 57.6 t 66.35 149.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 6.8 mttt -107.84 -16.04 14.41 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.413 1.07 . . . . 0.0 109.265 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.532 ' H ' HG12 ' A' ' 48' ' ' VAL . 2.4 t0 -41.12 -51.43 3.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -69.95 157.09 38.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 108.336 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -122.31 -47.13 2.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 13.8 t -83.08 120.77 76.57 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.06 146.3 32.28 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.504 1.791 . . . . 0.0 110.973 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.49 120.26 4.33 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.312 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.406 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.5 tt -93.59 120.87 65.86 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.557 1.161 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.401 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.04 122.17 7.02 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.461 1.769 . . . . 0.0 111.012 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.401 ' C ' ' O ' ' A' ' 57' ' ' PRO . 22.3 t80 36.66 40.27 0.13 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 111.031 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.404 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.61 115.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.113 . . . . 0.0 110.97 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.403 ' O ' ' SG ' ' A' ' 28' ' ' CYS . 1.4 mt-10 -135.23 -139.87 0.17 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 110.252 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.4 ' O ' ' O ' ' A' ' 43' ' ' ILE . 27.2 m -122.03 0.83 9.73 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 108.274 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.406 ' O ' HG13 ' A' ' 56' ' ' ILE . 78.0 m -123.46 87.64 51.9 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.152 . . . . 0.0 108.304 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 55.22 3.88 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.537 1.809 . . . . 0.0 110.976 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 ' CD1' ' O ' ' A' ' 45' ' ' CYS . 0.8 OUTLIER -147.56 178.05 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.614 1.197 . . . . 0.0 109.288 -179.938 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 14.8 t -97.81 117.75 64.82 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 108.302 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.449 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.3 Cg_endo -75.03 92.24 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.519 1.8 . . . . 0.0 110.989 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.524 ' HB2' HG21 ' A' ' 48' ' ' VAL . . . 68.51 -68.86 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.449 ' N ' ' O ' ' A' ' 66' ' ' PRO . 9.0 p-10 -179.63 56.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.318 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 56.03 178.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.15 61.34 0.78 Allowed 'General case' 0 C--N 1.323 -0.555 0 O-C-N 124.522 1.138 . . . . 0.0 109.321 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -176.82 176.09 1.53 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -163.52 -61.4 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.331 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.535 0 O-C-N 124.394 1.059 . . . . 0.0 109.28 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.466 0.174 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.2 t -135.84 147.72 28.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.583 1.177 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 68.41 166.69 0.26 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 110.317 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 42.8 t80 -77.99 -51.03 10.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.565 1.166 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 66.66 130.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 110.324 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -98.65 175.79 5.87 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 110.257 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 63.07 93.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.126 . . . . 0.0 109.256 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -109.93 80.44 0.27 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.487 1.117 . . . . 0.0 111.042 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.7 m 63.34 167.08 0.14 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.54 0.788 . . . . 0.0 109.979 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 m -115.18 133.99 55.55 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.592 1.182 . . . . 0.0 108.352 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 11' ' ' VAL . 2.5 p -100.51 111.25 29.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.241 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -115.43 100.63 8.23 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.465 1.103 . . . . 0.0 110.392 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 65.38 11.72 7.55 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.394 1.059 . . . . 0.0 109.308 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 102.36 26.96 7.07 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.511 1.132 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -117.5 126.51 52.72 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 0.796 . . . . 0.0 110.374 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.74 123.0 28.9 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.486 1.116 . . . . 0.0 110.327 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 25.7 m-85 -130.52 160.7 33.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.42 ' HB2' ' CB ' ' A' ' 21' ' ' ASP . 4.1 m-20 -56.1 -175.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.445 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -80.69 -60.72 2.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 109.273 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 21' ' ' ASP . 0.0 OUTLIER -82.1 -2.43 51.95 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.571 1.169 . . . . 0.0 109.309 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.5 OUTLIER -38.35 155.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 109.293 179.936 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 9.3 p -134.95 142.49 40.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.462 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 32.8 p90 -150.54 143.2 24.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.152 . . . . 0.0 108.037 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.503 ' CD ' ' O ' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -109.86 100.19 41.88 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.323 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.54 2.5 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.541 1.811 . . . . 0.0 110.923 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' O ' ' O ' ' A' ' 29' ' ' ARG . 18.3 mm-40 -134.73 154.81 79.68 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.491 1.119 . . . . 0.0 110.325 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' C ' ' SG ' ' A' ' 61' ' ' CYS . 18.5 Cg_endo -75.04 -10.38 21.13 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.566 1.824 . . . . 0.0 111.001 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.402 ' CA ' HG13 ' A' ' 43' ' ' ILE . 20.3 m -116.53 -6.94 11.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.7 OUTLIER -134.05 126.46 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.442 HG23 HD11 ' A' ' 43' ' ' ILE . 7.3 pt -117.79 126.86 75.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.416 ' O ' ' O ' ' A' ' 23' ' ' TRP . 1.5 m -112.04 131.48 55.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 108.337 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.75 119.37 10.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.445 ' O ' ' O ' ' A' ' 19' ' ' ASP . 40.4 t -68.36 121.61 16.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.608 1.193 . . . . 0.0 108.322 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -118.08 118.29 31.52 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 109.273 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.445 ' O ' HG22 ' A' ' 35' ' ' THR . 97.8 m 55.91 17.89 2.77 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 110.394 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.01 6.81 51.46 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.488 1.117 . . . . 0.0 110.954 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.8 m -107.31 126.45 52.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 0.716 . . . . 0.0 110.366 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.462 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 46.6 t -80.27 93.72 2.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.117 . . . . 0.0 109.352 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.0 tt -103.31 130.28 50.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.243 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -112.91 129.65 56.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.52 1.137 . . . . 0.0 108.323 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -110.41 167.95 9.82 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 109.262 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.64 156.89 18.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.457 HG21 ' HB3' ' A' ' 61' ' ' CYS . 2.4 mm -90.69 108.99 20.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 109.31 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.7 pt -107.22 107.57 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -103.17 140.05 37.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.444 1.09 . . . . 0.0 108.273 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -99.23 116.28 31.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 110.275 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.438 ' O ' ' N ' ' A' ' 67' ' ' ALA . 5.7 t0 -164.01 30.55 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.218 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 7.5 p -102.31 159.87 4.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.363 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.4 tttt -117.66 -68.47 0.92 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.296 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -148.04 49.8 1.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 109.278 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.19 167.04 11.11 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.48 1.113 . . . . 0.0 108.294 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -135.63 -48.95 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.275 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.45 ' O ' ' CB ' ' A' ' 65' ' ' CYS . 1.0 OUTLIER -79.9 136.41 54.58 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 110.029 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 53' ' ' SER . 18.3 Cg_endo -75.07 153.21 41.3 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.438 1.757 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.43 ' C ' HD12 ' A' ' 56' ' ' ILE . 3.5 tt0 -147.06 120.59 9.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 110.352 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.628 HD11 ' CA ' ' A' ' 63' ' ' PRO . 1.7 mp -109.06 101.03 43.16 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 109.293 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.412 ' HD2' ' HG3' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -75.01 111.98 3.45 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.437 1.756 . . . . 0.0 110.965 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 30.9 t80 40.41 39.18 0.66 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.972 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.584 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 56.75 118.47 0.01 OUTLIER Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.422 1.076 . . . . 0.0 111.014 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.412 ' HG3' ' HD2' ' A' ' 57' ' ' PRO . 2.1 mt-10 -134.91 -144.21 0.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.474 0.749 . . . . 0.0 110.255 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.457 ' HB3' HG21 ' A' ' 43' ' ' ILE . 67.5 m -115.65 -6.48 12.17 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.443 1.089 . . . . 0.0 108.283 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -116.33 88.02 21.95 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.551 1.157 . . . . 0.0 108.366 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.628 ' CA ' HD11 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -74.96 55.8 4.04 Favored 'Trans proline' 0 C--N 1.359 1.107 0 O-C-N 124.526 1.803 . . . . 0.0 110.936 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.419 ' CG2' ' C ' ' A' ' 63' ' ' PRO . 0.8 OUTLIER -151.28 178.29 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.409 1.068 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.45 ' CB ' ' O ' ' A' ' 53' ' ' SER . 2.0 t -97.61 117.94 64.77 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.148 . . . . 0.0 108.308 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -178.27 4.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.474 1.776 . . . . 0.0 110.966 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 47' ' ' ASP . . . -74.56 -40.32 61.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 109.255 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 52.95 77.55 0.16 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.299 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 2.0 pp -105.92 164.21 12.13 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.562 1.163 . . . . 0.0 109.284 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -173.57 166.86 4.62 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.41 67.44 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.357 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -78.46 -60.94 2.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.414 1.071 . . . . 0.0 109.309 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.977 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.484 0.183 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 8.2 p -163.82 -43.96 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.528 1.143 . . . . 0.0 109.241 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -40.58 155.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.431 1.082 . . . . 0.0 110.331 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -134.03 143.76 48.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 111.008 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.6 pm0 -76.72 171.58 14.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.102 . . . . 0.0 110.262 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 60.03 164.78 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . 57.2 62.93 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 0.0 109.329 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -74.91 -57.37 4.47 Favored Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.49 1.118 . . . . 0.0 111.008 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.0 p -45.6 141.42 2.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 0.734 . . . . 0.0 109.992 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -104.91 132.15 51.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.536 ' O ' HG23 ' A' ' 11' ' ' VAL . 3.4 m -101.28 111.35 30.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 1.1 tm0? -111.56 97.91 7.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.307 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 65.22 11.81 7.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.445 1.09 . . . . 0.0 109.357 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.44 25.96 6.75 Favored Glycine 0 CA--C 1.529 0.94 0 O-C-N 124.544 1.152 . . . . 0.0 111.021 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.424 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 11.0 mt-30 -120.0 130.26 54.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 0.737 . . . . 0.0 110.323 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -82.78 128.08 34.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.353 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.424 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 49.1 m-85 -138.13 157.41 46.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 111.027 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -53.93 -172.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.411 ' O ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -84.22 -61.99 1.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.585 1.178 . . . . 0.0 109.297 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 mttp -82.33 -3.7 55.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -39.96 157.86 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.444 1.09 . . . . 0.0 109.332 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.733 HG23 ' HB ' ' A' ' 32' ' ' VAL . 9.1 p -138.43 141.34 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.236 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.565 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 31.6 p90 -143.08 148.16 36.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.597 1.186 . . . . 0.0 108.047 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.61 100.36 47.8 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.418 1.074 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 -35.12 3.31 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.514 1.797 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' A' ' 29' ' ' ARG . 50.5 mm-40 -143.78 156.2 59.35 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 110.305 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.401 ' O ' ' SG ' ' A' ' 61' ' ' CYS . 18.1 Cg_endo -75.09 -8.22 19.77 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.477 1.777 . . . . 0.0 110.952 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 58.5 m -115.9 -8.25 11.93 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.542 1.151 . . . . 0.0 108.328 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.415 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.0 125.82 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.091 . . . . 0.0 110.324 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.853 HD13 ' N ' ' A' ' 31' ' ' CYS . 0.0 OUTLIER -116.95 131.56 69.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.853 ' N ' HD13 ' A' ' 30' ' ' ILE . 74.1 m -120.25 141.32 50.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 108.309 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.733 ' HB ' HG23 ' A' ' 22' ' ' VAL . 2.9 p -152.19 121.59 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.151 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.411 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -69.71 128.42 36.37 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 108.268 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -116.36 94.92 4.83 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.582 ' O ' HG22 ' A' ' 35' ' ' THR . 23.9 m 61.96 25.45 15.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 110.334 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.405 ' CA ' ' SG ' ' A' ' 33' ' ' CYS . . . 111.12 -19.58 24.8 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.443 1.089 . . . . 0.0 110.969 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.3 m -83.38 110.38 18.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 0.785 . . . . 0.0 110.399 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.565 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 88.2 t -81.1 97.0 3.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.428 1.08 . . . . 0.0 109.297 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.622 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -98.6 152.46 19.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 109.321 -179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.622 ' N ' HD12 ' A' ' 39' ' ' LEU . 82.0 m -136.48 128.09 28.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 108.263 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -128.95 166.52 18.99 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.429 1.081 . . . . 0.0 109.303 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -92.75 143.5 26.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.34 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.504 ' CG2' ' O ' ' A' ' 43' ' ' ILE . 1.3 tt -62.88 112.28 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 109.277 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.3 pt -103.52 107.19 21.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.466 ' O ' HD11 ' A' ' 64' ' ' ILE . 21.3 p -115.38 114.0 24.52 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.467 1.104 . . . . 0.0 108.339 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -65.73 130.96 45.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.511 1.132 . . . . 0.0 110.326 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -165.58 40.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 1.159 . . . . 0.0 109.284 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 14.3 p -102.83 145.91 11.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.538 1.149 . . . . 0.0 109.253 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.9 mttt -134.47 -61.72 0.76 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.146 . . . . 0.0 109.29 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -135.33 57.09 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.459 1.099 . . . . 0.0 109.339 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -132.48 -179.73 5.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.411 1.069 . . . . 0.0 108.284 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -152.6 -47.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.475 1.109 . . . . 0.0 109.294 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 99.4 p -88.32 120.12 70.4 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.469 1.106 . . . . 0.0 109.998 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.478 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.03 142.75 28.13 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.502 1.791 . . . . 0.0 110.982 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -157.39 121.56 4.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.881 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.1 OUTLIER -71.78 113.75 22.74 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.269 -179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 115.96 4.44 Favored 'Trans proline' 0 C--N 1.359 1.099 0 O-C-N 124.568 1.825 . . . . 0.0 110.902 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.487 ' CG ' ' O ' ' A' ' 58' ' ' PHE . 21.8 t80 39.95 83.12 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 111.039 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.474 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.13 90.96 0.01 OUTLIER Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.479 1.112 . . . . 0.0 111.054 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -117.37 -171.63 2.07 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.458 0.74 . . . . 0.0 110.24 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.46 ' HB3' ' CG2' ' A' ' 43' ' ' ILE . 95.0 m -105.67 -21.01 13.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 108.354 179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 81.0 m -108.01 102.24 44.93 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 108.368 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.881 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.2 Cg_endo -75.01 55.74 4.04 Favored 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.483 1.78 . . . . 0.0 111.016 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.478 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.8 OUTLIER -137.05 174.26 12.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.9 t -98.02 116.73 65.61 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.543 1.152 . . . . 0.0 108.305 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.438 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.4 Cg_endo -74.93 91.7 1.01 Allowed 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 111.057 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.401 ' HB3' ' O ' ' A' ' 66' ' ' PRO . . . 66.97 -72.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.579 1.174 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.438 ' N ' ' O ' ' A' ' 66' ' ' PRO . 4.4 t70 -178.53 60.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.4 1.063 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mp 50.86 56.9 7.29 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.543 1.152 . . . . 0.0 109.263 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 54.86 78.33 0.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 109.395 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.73 136.63 3.39 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -177.9 133.29 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.54 0 O-C-N 124.549 1.156 . . . . 0.0 109.318 179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 5.5 m-85 . . . . . 0 N--CA 1.453 -0.29 0 CA-C-O 120.531 0.205 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 86.4 t -87.0 111.53 21.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -94.19 166.13 12.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.333 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -166.19 160.15 15.84 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 111.058 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -120.63 154.88 34.87 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.457 1.098 . . . . 0.0 110.287 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 61.24 114.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.626 ' HB1' ' HA3' ' A' ' 36' ' ' GLY . . . -130.35 163.48 26.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 173.22 -60.8 0.14 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.474 1.109 . . . . 0.0 110.905 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 52.5 p -99.74 134.54 42.49 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.517 0.774 . . . . 0.0 109.983 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.6 m -108.91 126.26 52.89 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 108.325 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 56.2 t -101.64 111.57 31.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.59 1.181 . . . . 0.0 109.266 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 41.8 tp60 -124.49 97.87 5.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.248 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 72.76 5.57 5.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 109.336 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.64 18.81 10.37 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.966 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.407 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 4.0 mt-30 -114.77 132.91 56.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 0.0 110.288 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.3 mtt85 -82.9 120.05 25.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.291 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.407 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 31.8 m-85 -134.51 157.39 46.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.984 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -82.12 -176.48 6.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.448 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -81.64 -68.06 0.73 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.486 1.116 . . . . 0.0 109.372 179.916 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.87 -23.25 1.82 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -64.81 128.52 36.1 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.716 HG12 HG23 ' A' ' 32' ' ' VAL . 3.1 m -118.92 135.61 58.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.603 1.19 . . . . 0.0 109.321 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.799 ' HH2' HG22 ' A' ' 38' ' ' VAL . 35.3 p90 -127.39 148.3 50.27 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.505 1.128 . . . . 0.0 108.01 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.6 100.16 40.83 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.396 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -37.13 2.23 Favored 'Trans proline' 0 C--N 1.359 1.095 0 O-C-N 124.486 1.782 . . . . 0.0 111.039 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 4.9 mt-10 -131.95 156.44 80.11 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.143 . . . . 0.0 110.305 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -9.55 20.87 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.503 1.791 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.579 ' HA ' HD12 ' A' ' 43' ' ' ILE . 53.7 t -123.0 0.97 9.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 108.288 -179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 11.7 tpp180 -133.68 135.53 44.14 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.535 1.147 . . . . 0.0 110.292 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.715 ' C ' HD13 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -122.76 127.88 75.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 109.375 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.658 ' N ' HD13 ' A' ' 30' ' ' ILE . 9.8 m -110.98 141.83 43.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 108.281 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.716 HG23 HG12 ' A' ' 22' ' ' VAL . 7.5 p -146.93 139.69 19.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.448 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 52.3 t -93.73 102.18 14.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 108.355 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -112.1 110.43 20.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 6.0 m 73.87 25.91 1.87 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.56 1.163 . . . . 0.0 110.436 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.626 ' HA3' ' HB1' ' A' ' 7' ' ' ALA . . . 83.43 5.94 88.11 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.412 1.07 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 4.9 m -107.62 126.33 52.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 0.0 110.372 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.799 HG22 ' HH2' ' A' ' 23' ' ' TRP . 39.1 t -81.1 92.42 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.272 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.76 HD12 ' N ' ' A' ' 40' ' ' CYS . 3.1 tp -101.01 129.69 46.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.76 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -112.27 127.88 56.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 108.308 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -110.49 152.16 26.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.567 1.167 . . . . 0.0 109.252 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -78.1 139.11 39.04 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 0.0 109.274 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.579 HD12 ' HA ' ' A' ' 28' ' ' CYS . 15.2 mt -75.45 98.98 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.4 pt -88.11 109.77 20.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 0.0 109.279 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -89.92 167.06 13.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.312 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.1 mt-10 -81.69 165.91 20.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.574 1.171 . . . . 0.0 110.324 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -99.96 165.83 11.35 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.541 1.151 . . . . 0.0 109.288 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.709 HG22 ' H ' ' A' ' 49' ' ' LYS . 2.3 p -164.16 -172.88 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.709 ' H ' HG22 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -141.79 100.94 3.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' C ' ' O ' ' A' ' 49' ' ' LYS . 9.0 m-20 39.87 53.78 2.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.4 ' SG ' ' O ' ' A' ' 65' ' ' CYS . 1.6 t -54.27 152.53 6.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.093 . . . . 0.0 108.3 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 4.1 mt -40.72 -83.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -114.59 120.72 37.22 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.553 1.158 . . . . 0.0 110.02 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.91 122.09 7.03 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.484 1.781 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.41 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER -147.27 139.16 24.27 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.139 . . . . 0.0 110.306 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.834 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.28 112.75 14.8 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 0.0 109.335 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' O ' ' A' ' 55' ' ' GLU . 18.5 Cg_endo -74.94 115.97 4.45 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.46 1.768 . . . . 0.0 111.054 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.464 ' O ' ' C ' ' A' ' 59' ' ' GLY . 16.4 t80 41.09 84.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.144 . . . . 0.0 110.954 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 32.24 89.09 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.521 1.138 . . . . 0.0 110.947 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -118.64 -171.54 2.11 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 0.768 . . . . 0.0 110.308 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.3 t -106.1 -22.04 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.548 1.155 . . . . 0.0 108.296 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.9 m -114.86 105.47 53.15 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 108.249 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.834 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.06 55.41 3.97 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.565 1.824 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.41 ' O ' ' O ' ' A' ' 55' ' ' GLU . 0.1 OUTLIER -124.78 166.01 20.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.616 ' O ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -97.48 117.62 65.24 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 108.308 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.01 0.72 Allowed 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.42 1.747 . . . . 0.0 111.006 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.44 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -144.8 77.98 1.55 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.271 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -177.62 37.31 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -124.39 137.13 54.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.315 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -42.26 -60.82 1.34 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 109.3 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 45.04 90.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 109.318 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 51.6 81.0 0.08 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.436 1.085 . . . . 0.0 109.275 -179.989 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 34.7 m-85 . . . . . 0 N--CA 1.454 -0.274 0 CA-C-O 120.477 0.179 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 m -147.21 174.84 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 66.81 83.77 0.16 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.147 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 54.1 t80 -167.12 91.8 0.4 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 111.032 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.85 171.17 13.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 110.327 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -145.36 125.48 13.71 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 0.0 110.311 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -155.38 120.82 4.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.301 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -48.48 -65.32 2.64 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.978 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 m -88.03 155.24 19.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 0.767 . . . . 0.0 109.985 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.7 m -106.83 129.19 54.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.471 1.107 . . . . 0.0 108.289 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 91.8 t -96.55 111.66 27.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.138 . . . . 0.0 109.366 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.573 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 5.9 tm0? -123.99 100.37 6.71 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.136 . . . . 0.0 110.326 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.6 t0 66.62 11.14 7.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.25 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 100.08 26.77 8.16 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.455 1.097 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.554 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 30.0 mt-30 -120.25 121.11 37.96 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.528 0.781 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.415 ' CG ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -82.88 114.07 20.93 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 0.0 110.264 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.554 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 62.2 m-85 -117.88 160.75 20.88 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 111.033 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -54.47 -175.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 109.281 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.418 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -78.17 -64.11 1.24 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 109.26 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.453 ' O ' ' C ' ' A' ' 21' ' ' ASP . 2.7 ttpp -79.55 -2.62 43.2 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 109.277 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' C ' ' O ' ' A' ' 20' ' ' LYS . 0.7 OUTLIER -36.5 143.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.704 HG22 HG23 ' A' ' 32' ' ' VAL . 99.3 t -123.82 138.94 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 109.335 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.573 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.0 p90 -150.65 145.63 25.98 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 107.96 -1.126 . . . . 0.0 107.96 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.424 ' HE2' ' HA ' ' A' ' 27' ' ' PRO . 0.0 OUTLIER -110.44 100.71 46.0 Favored Pre-proline 0 C--N 1.324 -0.518 0 O-C-N 124.513 1.133 . . . . 0.0 109.35 179.914 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -39.55 1.17 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.495 1.787 . . . . 0.0 111.023 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.432 ' O ' ' O ' ' A' ' 29' ' ' ARG . 43.6 mt-10 -124.21 149.81 61.82 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.578 1.174 . . . . 0.0 110.292 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.424 ' HA ' ' HE2' ' A' ' 24' ' ' LYS . 18.5 Cg_endo -74.93 -9.47 20.88 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.46 1.769 . . . . 0.0 111.032 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.525 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.3 OUTLIER -117.43 -7.64 11.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 108.316 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -135.19 128.97 33.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 110.323 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.412 ' O ' ' HA ' ' A' ' 40' ' ' CYS . 12.1 tt -112.53 133.42 58.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 13.4 m -114.32 143.27 45.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.508 1.13 . . . . 0.0 108.295 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.704 HG23 HG22 ' A' ' 22' ' ' VAL . 2.4 p -150.52 121.83 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 109.26 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.418 ' O ' ' O ' ' A' ' 19' ' ' ASP . 35.6 t -74.86 125.91 29.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 108.26 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -116.47 98.45 6.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.292 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.534 ' O ' HG22 ' A' ' 35' ' ' THR . 53.2 m 61.47 23.65 13.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 110.356 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 110.96 -17.23 27.41 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.423 1.077 . . . . 0.0 110.95 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 57.9 m -84.16 111.23 19.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.508 0.769 . . . . 0.0 110.394 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.556 HG22 ' HH2' ' A' ' 23' ' ' TRP . 76.3 t -86.21 93.79 4.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 0.0 109.295 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.663 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -106.07 152.1 23.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 1.108 . . . . 0.0 109.356 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.663 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -124.94 127.83 47.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 108.314 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -106.43 146.38 30.59 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -68.76 155.49 40.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 0.0 109.28 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.557 HG22 ' HB3' ' A' ' 61' ' ' CYS . 93.9 mt -111.11 99.11 8.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 9.2 pt -117.72 111.0 32.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.438 1.087 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -91.87 171.02 9.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 108.283 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -97.49 166.07 11.7 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.486 1.116 . . . . 0.0 110.333 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -169.01 179.53 4.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.321 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.932 HG23 ' HB2' ' A' ' 67' ' ' ALA . 53.0 t -93.22 -103.1 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.116 . . . . 0.0 109.29 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.705 ' N ' HG12 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -156.57 -86.35 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -102.79 88.19 3.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.125 . . . . 0.0 109.355 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.7 p -100.15 -178.2 3.76 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 108.283 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 2.7 mt -45.58 -89.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.2 p -133.96 138.8 31.52 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.561 1.163 . . . . 0.0 109.948 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.511 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 17.9 Cg_endo -75.1 122.2 7.01 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.458 1.767 . . . . 0.0 110.937 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -150.14 137.89 20.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.353 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.967 HD12 ' HB3' ' A' ' 63' ' ' PRO . 0.0 OUTLIER -71.98 113.7 22.57 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.414 ' O ' ' CG ' ' A' ' 60' ' ' GLU . 18.4 Cg_endo -74.94 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.478 1.778 . . . . 0.0 111.007 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.477 ' O ' ' C ' ' A' ' 59' ' ' GLY . 22.6 t80 42.75 84.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 110.959 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.477 ' C ' ' O ' ' A' ' 58' ' ' PHE . . . 31.26 90.03 0.01 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.572 1.17 . . . . 0.0 111.046 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.414 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 10.1 mm-40 -121.34 -171.7 2.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.54 0.788 . . . . 0.0 110.266 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.557 ' HB3' HG22 ' A' ' 43' ' ' ILE . 43.8 t -106.57 -16.9 14.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 108.325 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 28.1 p -111.55 98.42 40.56 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 108.284 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.967 ' HB3' HD12 ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 55.35 3.94 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.441 1.758 . . . . 0.0 111.004 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.511 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.6 OUTLIER -139.96 178.4 3.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.112 . . . . 0.0 109.292 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.4 ' N ' ' HA ' ' A' ' 54' ' ' PRO . 1.4 p -99.16 117.02 64.78 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 108.27 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -169.8 0.68 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.544 1.813 . . . . 0.0 111.004 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.932 ' HB2' HG23 ' A' ' 48' ' ' VAL . . . -94.44 46.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.309 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 69' ' ' LEU . 43.5 m-20 -115.34 -44.0 3.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.486 1.116 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.402 ' O ' ' O ' ' A' ' 68' ' ' ASP . 0.5 OUTLIER -40.39 159.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.581 1.176 . . . . 0.0 109.292 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -63.03 -37.66 88.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -57.87 -73.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.574 1.171 . . . . 0.0 109.337 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 62.1 50.46 4.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.482 1.114 . . . . 0.0 109.367 179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.438 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 11.4 p90 . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.497 0.189 . . . . 0.0 111.002 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.34 173.95 12.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.261 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 18.4 mp0 -68.46 169.75 10.26 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.512 1.133 . . . . 0.0 110.303 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -142.47 114.05 7.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.51 1.131 . . . . 0.0 111.095 179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -68.67 -39.49 80.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -88.44 135.96 33.22 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.91 154.93 42.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.087 . . . . 0.0 109.296 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 151.29 -80.89 0.19 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.478 1.111 . . . . 0.0 111.071 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.424 ' CB ' ' HG2' ' A' ' 16' ' ' ARG . 73.2 p -106.13 173.86 6.13 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 0.752 . . . . 0.0 110.009 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 81.0 m -116.31 149.17 39.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 108.283 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.5 ' O ' ' CG1' ' A' ' 11' ' ' VAL . 1.4 p -100.57 111.55 30.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.485 1.116 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -116.93 100.39 7.73 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.47 1.106 . . . . 0.0 110.368 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.64 9.96 7.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.1 26.33 7.91 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.542 1.151 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.526 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.6 OUTLIER -120.72 126.02 49.11 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.378 0.693 . . . . 0.0 110.292 179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.424 ' HG2' ' CB ' ' A' ' 9' ' ' SER . 0.0 OUTLIER -82.74 112.45 19.6 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.276 -179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.526 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 51.2 m-85 -120.63 129.63 53.81 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.529 1.143 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.8 166.65 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.381 1.051 . . . . 0.0 109.294 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.426 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -72.97 -68.01 0.52 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 109.321 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.8 ttmm -48.02 -24.2 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.266 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -65.84 148.85 51.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.441 1.088 . . . . 0.0 109.254 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.571 HG22 HG23 ' A' ' 32' ' ' VAL . 85.4 t -137.7 132.78 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.756 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 43.9 p90 -121.95 148.8 44.32 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.005 -1.109 . . . . 0.0 108.005 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.945 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.82 99.77 39.89 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.483 1.114 . . . . 0.0 109.295 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -36.91 2.33 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.513 1.797 . . . . 0.0 110.993 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.475 ' HB2' ' CB ' ' A' ' 29' ' ' ARG . 11.0 mm-40 -133.49 155.42 80.67 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.471 1.107 . . . . 0.0 110.296 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -8.25 19.86 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.495 1.787 . . . . 0.0 110.966 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.64 ' C ' HD12 ' A' ' 43' ' ' ILE . 43.5 t -124.33 1.24 8.4 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.456 1.098 . . . . 0.0 108.232 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.475 ' CB ' ' HB2' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -134.4 136.5 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.433 1.083 . . . . 0.0 110.358 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.945 HG22 ' HD2' ' A' ' 24' ' ' LYS . 0.6 OUTLIER -122.77 144.64 31.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 109.343 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -131.87 141.5 49.42 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 108.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.571 HG23 HG22 ' A' ' 22' ' ' VAL . 1.5 p -145.74 133.8 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.271 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 51.0 t -82.55 116.81 22.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.455 1.097 . . . . 0.0 108.281 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.452 ' O ' ' N ' ' A' ' 37' ' ' THR . 26.0 t70 -116.82 111.58 19.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 1.144 . . . . 0.0 109.316 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 36.1 p 38.08 76.04 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 49.15 22.13 3.08 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.548 1.155 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.452 ' N ' ' O ' ' A' ' 34' ' ' ASP . 2.0 m -138.53 102.91 4.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 0.784 . . . . 0.0 110.432 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.756 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.3 p -94.72 136.7 25.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.291 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.6 pt? -135.17 143.8 46.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.511 1.132 . . . . 0.0 109.243 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.75 127.89 54.4 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.437 1.085 . . . . 0.0 108.301 -179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -113.19 148.01 36.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.401 1.063 . . . . 0.0 109.355 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -74.2 160.14 31.57 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.518 1.136 . . . . 0.0 109.366 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.64 HD12 ' C ' ' A' ' 28' ' ' CYS . 73.4 mt -107.4 104.17 16.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 11.8 pt -85.81 108.16 17.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -108.19 171.05 7.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 108.314 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -90.02 166.22 13.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.581 1.176 . . . . 0.0 110.35 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -112.71 140.53 47.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.604 1.19 . . . . 0.0 109.337 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.65 HG12 HD12 ' A' ' 64' ' ' ILE . 8.1 p -73.74 168.53 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.451 1.095 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.537 ' N ' HG22 ' A' ' 48' ' ' VAL . 0.4 OUTLIER -142.51 -69.79 0.34 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.279 -179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -141.83 65.24 1.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 109.338 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 3.9 t -106.24 176.42 5.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.47 1.106 . . . . 0.0 108.322 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -73.93 -88.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.456 1.098 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -114.7 155.2 46.48 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 109.95 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -74.93 134.65 18.19 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.464 1.77 . . . . 0.0 111.008 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -154.81 124.28 6.45 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.403 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 1.0 OUTLIER -72.05 120.76 82.07 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.094 . . . . 0.0 109.304 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.42 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -75.04 110.4 3.11 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.495 1.787 . . . . 0.0 110.956 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.452 ' O ' ' O ' ' A' ' 59' ' ' GLY . 46.0 t80 46.53 49.7 13.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.452 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.51 119.22 0.01 OUTLIER Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.475 1.109 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 28.1 mm-40 -145.35 -150.43 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.464 0.743 . . . . 0.0 110.281 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.405 ' HB3' HG22 ' A' ' 43' ' ' ILE . 5.3 t -112.65 -16.2 12.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 108.329 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 84.5 m -116.67 98.21 51.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 108.264 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 55.76 4.09 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.485 1.781 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.65 HD12 HG12 ' A' ' 48' ' ' VAL . 1.3 pt -135.61 178.23 5.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.366 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.586 ' O ' HG23 ' A' ' 48' ' ' VAL . 44.3 t -97.63 117.53 65.23 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.469 1.106 . . . . 0.0 108.325 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' O ' ' N ' ' A' ' 68' ' ' ASP . 18.3 Cg_endo -74.94 114.5 4.04 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.56 1.821 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.464 ' HB2' ' HB2' ' A' ' 49' ' ' LYS . . . -49.87 95.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.542 1.151 . . . . 0.0 109.272 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.956 ' O ' HD12 ' A' ' 69' ' ' LEU . 1.3 t0 172.23 -43.14 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.956 HD12 ' O ' ' A' ' 68' ' ' ASP . 0.4 OUTLIER 39.58 52.5 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.441 1.088 . . . . 0.0 109.238 -179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -40.71 -58.9 1.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.32 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.426 ' O ' ' HB2' ' A' ' 72' ' ' ALA . . . -49.21 -63.3 1.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.426 ' HB2' ' O ' ' A' ' 71' ' ' ALA . . . 179.51 -58.49 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.534 1.146 . . . . 0.0 109.314 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.47 1.106 . . . . 0.0 109.25 179.938 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.631 ' CD1' ' N ' ' A' ' 1' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.292 0 CA-C-O 120.468 0.175 . . . . 0.0 110.936 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.526 HG22 ' CD2' ' A' ' 1' ' ' TYR . 4.0 m -118.12 135.32 58.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.11 . . . . 0.0 109.354 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -133.02 105.27 6.97 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.537 1.148 . . . . 0.0 110.331 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 49.98 92.97 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.478 1.111 . . . . 0.0 111.034 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -112.35 113.95 26.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.336 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -81.37 98.04 8.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 110.26 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -145.69 -62.58 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.293 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 97.11 -79.79 0.68 Allowed Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.553 1.158 . . . . 0.0 111.056 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -43.31 135.08 3.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.596 0.821 . . . . 0.0 110.027 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.3 m -110.4 140.01 45.05 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 108.341 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.4 t -96.88 111.58 27.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.512 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.2 tm0? -124.76 103.0 7.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.544 1.153 . . . . 0.0 110.311 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 63.63 13.24 7.17 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.551 1.157 . . . . 0.0 109.334 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 96.68 31.47 7.05 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.492 1.12 . . . . 0.0 110.973 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.57 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -131.37 127.38 37.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.265 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.91 116.53 22.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 0.0 110.317 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.57 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.3 m-85 -119.09 144.21 46.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 -54.56 -170.69 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 33' ' ' CYS . 76.7 m-20 -87.43 -68.08 0.78 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.506 1.129 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.2 ttpp -60.26 -16.04 30.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.66 ' O ' HG23 ' A' ' 32' ' ' VAL . 1.0 OUTLIER -59.36 127.95 34.65 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.47 1.106 . . . . 0.0 109.29 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.639 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.4 p -110.99 156.51 12.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.512 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 23.8 p90 -150.08 148.49 29.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 108.051 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.84 101.35 43.71 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 109.339 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -39.59 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.491 1.785 . . . . 0.0 111.019 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -141.54 148.66 51.18 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 110.281 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 52.96 3.17 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 111.089 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.678 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.46 -36.66 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.449 1.093 . . . . 0.0 108.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.22 132.78 53.62 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.265 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.626 HG23 HD11 ' A' ' 43' ' ' ILE . 1.1 pp -110.26 160.42 9.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.445 1.091 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -146.43 136.19 23.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.452 1.095 . . . . 0.0 108.277 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.66 HG23 ' O ' ' A' ' 21' ' ' ASP . 7.7 p -143.85 134.66 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.145 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.401 ' O ' ' O ' ' A' ' 19' ' ' ASP . 24.7 t -68.7 70.63 0.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 1.148 . . . . 0.0 108.282 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 32' ' ' VAL . 54.2 t0 -78.89 124.1 27.9 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.44 1.087 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.545 ' O ' HG22 ' A' ' 35' ' ' THR . 53.8 m 61.02 27.31 17.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.46 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 81.8 -6.17 67.13 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 55.0 m -101.78 143.97 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 0.799 . . . . 0.0 110.385 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 86.0 t -85.96 91.98 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.457 1.098 . . . . 0.0 109.322 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 5.0 tp -104.65 132.28 51.08 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.404 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 0.8 OUTLIER -101.44 129.76 47.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 108.261 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -106.48 156.57 18.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -77.96 160.1 28.41 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.678 HD12 ' C ' ' A' ' 28' ' ' CYS . 16.1 mt -113.03 118.07 57.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.4 pt -85.86 106.68 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.12 . . . . 0.0 109.275 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.87 160.58 15.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 108.281 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -55.69 164.72 1.02 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.251 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.57 ' O ' HG23 ' A' ' 48' ' ' VAL . 11.0 m-20 -137.68 137.11 38.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.86 HG11 ' HB2' ' A' ' 51' ' ' CYS . 51.8 t -157.52 144.4 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.484 1.115 . . . . 0.0 109.337 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.75 -37.61 6.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.722 ' H ' HG12 ' A' ' 48' ' ' VAL . 0.2 OUTLIER 170.44 -34.28 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 109.324 180.0 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.86 ' HB2' HG11 ' A' ' 48' ' ' VAL . 49.5 t 58.56 163.05 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.599 1.187 . . . . 0.0 108.3 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 51' ' ' CYS . 10.5 mt -39.65 -86.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -114.25 122.8 33.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.108 . . . . 0.0 110.054 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.477 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.06 137.49 21.66 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.483 1.781 . . . . 0.0 111.003 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -158.63 131.95 7.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG23 ' HA2' ' A' ' 59' ' ' GLY . 1.2 tt -78.89 121.6 83.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.3 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.08 121.39 6.52 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.419 1.747 . . . . 0.0 110.969 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.426 ' C ' ' O ' ' A' ' 57' ' ' PRO . 10.6 t80 35.72 40.69 0.09 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.411 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.5 0.01 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.401 ' HG2' ' O ' ' A' ' 57' ' ' PRO . 2.5 mm-40 -134.7 -75.84 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.463 0.743 . . . . 0.0 110.235 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 53.0 t -179.51 -38.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 108.344 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 70.0 m -107.36 103.31 48.01 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 108.297 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 59.83 5.24 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.477 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.2 OUTLIER -126.3 169.92 17.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.14 . . . . 0.0 109.286 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.95 117.99 64.4 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 108.29 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.552 ' HA ' HG21 ' A' ' 48' ' ' VAL . 18.4 Cg_endo -75.0 176.46 9.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.455 1.766 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -47.27 -63.22 1.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.315 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.411 ' O ' ' C ' ' A' ' 69' ' ' LEU . 2.2 m-20 -156.9 83.84 0.95 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 109.229 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 69' ' ' LEU . 0.1 OUTLIER 39.66 83.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.363 179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -124.21 111.69 16.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -105.29 -60.1 1.66 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.538 1.148 . . . . 0.0 109.334 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -115.48 156.02 26.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.578 1.174 . . . . 0.0 109.222 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 109.24 179.97 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . 0.466 ' O ' ' CD2' ' A' ' 1' ' ' TYR . 46.9 p90 . . . . . 0 N--CA 1.453 -0.304 0 CA-C-O 120.466 0.175 . . . . 0.0 111.09 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.7 m -135.57 169.7 20.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.133 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -142.67 142.03 31.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.263 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -59.2 122.14 13.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.47 161.03 26.93 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.488 1.117 . . . . 0.0 110.303 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -128.36 78.2 1.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.113 . . . . 0.0 110.364 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -130.63 89.59 2.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.495 1.122 . . . . 0.0 109.25 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -46.55 -71.26 0.54 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 p -57.5 131.45 50.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.424 0.72 . . . . 0.0 110.059 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 m -105.01 120.34 41.24 Favored 'General case' 0 C--N 1.323 -0.568 0 O-C-N 124.505 1.128 . . . . 0.0 108.314 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.535 ' O ' HG23 ' A' ' 11' ' ' VAL . 4.5 m -99.39 111.18 28.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.52 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.3 tm0? -110.16 97.96 7.33 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.604 1.19 . . . . 0.0 110.302 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 65.36 11.57 7.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 0.0 109.352 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 105.57 25.15 6.72 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.523 1.14 . . . . 0.0 110.996 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.8 mm-40 -119.87 135.09 55.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 110.263 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -82.9 118.77 23.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.449 1.093 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 36.7 m-85 -134.79 153.22 52.12 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 110.987 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -75.34 -164.97 0.36 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.318 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 9.2 m-20 -88.85 -65.29 1.03 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 109.309 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.7 pttm -64.35 -12.59 43.9 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.538 1.149 . . . . 0.0 109.297 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.453 ' O ' HG23 ' A' ' 32' ' ' VAL . 0.7 OUTLIER -62.99 112.37 2.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.294 179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.728 HG23 ' HB ' ' A' ' 32' ' ' VAL . 14.6 p -99.05 150.98 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.52 ' CE2' ' HG3' ' A' ' 12' ' ' GLN . 27.3 p90 -144.51 151.61 39.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 108.02 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.68 101.51 43.84 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.552 1.158 . . . . 0.0 109.266 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 -39.95 1.03 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.471 1.774 . . . . 0.0 110.988 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -143.59 149.26 46.58 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 110.295 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 52.96 3.19 Favored 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.521 1.8 . . . . 0.0 111.011 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.798 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.4 -36.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.291 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' NH1' ' HB2' ' A' ' 40' ' ' CYS . 0.3 OUTLIER -124.39 132.65 53.53 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.458 1.099 . . . . 0.0 110.301 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.689 HG23 HG12 ' A' ' 43' ' ' ILE . 2.0 pp -107.01 153.25 8.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.452 1.095 . . . . 0.0 109.351 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.422 ' HB2' ' NE1' ' A' ' 23' ' ' TRP . 91.5 m -139.8 132.06 28.25 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.476 1.11 . . . . 0.0 108.339 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.728 ' HB ' HG23 ' A' ' 22' ' ' VAL . 7.6 p -145.81 143.04 21.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.268 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 37.5 t -78.96 68.57 4.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.405 1.066 . . . . 0.0 108.235 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.73 129.49 37.17 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.594 1.184 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.526 ' O ' HG22 ' A' ' 35' ' ' THR . 53.9 m 60.2 25.85 15.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.402 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.4 ' C ' ' SG ' ' A' ' 33' ' ' CYS . . . 83.94 -11.02 58.7 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.492 1.12 . . . . 0.0 110.983 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.8 m -98.13 138.03 36.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 0.744 . . . . 0.0 110.451 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.1 t -81.15 91.87 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.583 1.177 . . . . 0.0 109.309 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.5 tp -105.91 149.49 26.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.416 ' HA ' ' O ' ' A' ' 30' ' ' ILE . 55.9 m -122.9 132.74 54.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 108.297 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 28.4 t0 -108.79 162.98 13.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.572 1.17 . . . . 0.0 109.264 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -87.32 126.92 35.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.277 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.798 HD12 ' C ' ' A' ' 28' ' ' CYS . 56.3 mt -70.86 99.51 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.3 pt -89.16 109.11 19.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.252 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.6 p -104.33 168.59 9.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.546 1.154 . . . . 0.0 108.291 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -58.33 157.33 8.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.331 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.455 ' HA ' HD11 ' A' ' 64' ' ' ILE . 4.6 p-10 -125.41 178.3 5.69 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.577 1.173 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.813 HG21 ' SG ' ' A' ' 51' ' ' CYS . 0.5 OUTLIER -159.05 -164.64 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.479 1.112 . . . . 0.0 109.294 179.975 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.659 ' N ' HG13 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -125.68 64.81 1.18 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.548 1.155 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.556 ' CB ' ' O ' ' A' ' 49' ' ' LYS . 7.0 t0 86.36 -45.36 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.813 ' SG ' HG21 ' A' ' 48' ' ' VAL . 0.0 OUTLIER 60.99 -162.01 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 108.323 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.6 mp -98.11 -58.98 1.85 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.376 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.4 m -133.78 121.07 15.78 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 109.968 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.413 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -75.01 126.28 9.86 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.471 1.774 . . . . 0.0 110.975 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -153.68 126.47 8.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.44 HG23 ' HA2' ' A' ' 59' ' ' GLY . 0.9 OUTLIER -72.05 119.22 73.27 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.97 121.88 6.87 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.537 1.809 . . . . 0.0 111.001 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 56.8 t80 36.4 40.12 0.11 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.521 1.138 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.44 ' HA2' HG23 ' A' ' 56' ' ' ILE . . . 57.71 118.08 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.456 1.098 . . . . 0.0 110.989 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.21 -76.13 0.47 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 110.351 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.5 t -178.87 -38.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.501 1.126 . . . . 0.0 108.311 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 10.5 p -108.72 106.06 58.09 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.527 1.142 . . . . 0.0 108.356 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 64.75 6.08 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.485 1.782 . . . . 0.0 110.994 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.455 HD11 ' HA ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -129.8 178.25 5.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -97.78 117.85 64.71 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.482 1.114 . . . . 0.0 108.329 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 -168.68 0.54 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.454 1.765 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -62.08 -69.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.318 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -153.91 91.34 1.45 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.593 1.183 . . . . 0.0 109.297 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.3 mt 43.46 62.71 1.78 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 109.33 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 41.87 79.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.326 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -42.58 -59.49 1.88 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 1.13 . . . . 0.0 109.316 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 60.74 150.48 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 109.279 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.364 179.946 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.502 0.191 . . . . 0.0 111.053 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 64.8 t 56.43 96.05 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.319 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -165.28 96.0 0.68 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -133.12 137.4 46.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.43 1.081 . . . . 0.0 111.061 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -177.8 152.87 0.8 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.566 1.166 . . . . 0.0 110.272 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -117.62 71.45 0.81 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -174.48 103.5 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.405 1.066 . . . . 0.0 109.372 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.29 -73.05 1.0 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.564 1.165 . . . . 0.0 111.011 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.457 ' HB3' ' CG ' ' A' ' 16' ' ' ARG . 14.3 m 62.71 103.02 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.515 0.773 . . . . 0.0 110.041 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 p -109.44 159.35 17.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.393 1.058 . . . . 0.0 108.289 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 95.7 t -103.35 111.71 34.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.419 1.074 . . . . 0.0 109.301 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.449 ' CA ' ' OE1' ' A' ' 12' ' ' GLN . 0.1 OUTLIER -124.5 98.94 5.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.437 1.085 . . . . 0.0 110.347 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 73.07 5.35 5.13 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.285 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.51 20.48 10.88 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.432 1.083 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.569 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -121.08 129.22 53.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 0.768 . . . . 0.0 110.262 -179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.457 ' CG ' ' HB3' ' A' ' 9' ' ' SER . 7.6 tmm_? -82.95 113.07 20.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.291 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.569 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 58.8 m-85 -111.08 144.37 40.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 111.04 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -61.54 -172.99 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.261 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.409 ' O ' ' O ' ' A' ' 33' ' ' CYS . 74.2 m-20 -77.87 -68.33 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 0.0 109.277 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.19 -15.14 30.93 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.514 1.134 . . . . 0.0 109.333 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -50.67 103.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.512 1.132 . . . . 0.0 109.272 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.548 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.7 p -98.89 145.69 9.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.497 1.123 . . . . 0.0 109.351 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 31.7 p90 -145.46 152.9 40.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 107.999 -1.112 . . . . 0.0 107.999 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.62 101.53 43.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -41.08 0.72 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.508 1.794 . . . . 0.0 111.005 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -134.47 146.16 58.16 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.584 1.177 . . . . 0.0 110.224 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.1 51.83 2.93 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.442 1.759 . . . . 0.0 110.952 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -169.76 -36.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 108.241 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -124.1 131.01 53.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.497 1.123 . . . . 0.0 110.332 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . . . . . . . . . 10.7 tt -102.54 160.11 4.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.475 1.109 . . . . 0.0 109.232 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 83.9 m -146.76 131.18 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 108.29 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 33' ' ' CYS . 8.0 p -130.88 172.84 15.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.564 1.165 . . . . 0.0 109.26 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.58 ' H ' HG22 ' A' ' 32' ' ' VAL . 2.3 t -108.28 66.77 0.65 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 108.337 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.407 ' O ' ' N ' ' A' ' 37' ' ' THR . 0.7 OUTLIER -66.94 128.62 37.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 109.346 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.446 ' O ' HG22 ' A' ' 35' ' ' THR . 92.8 m 51.29 29.02 4.64 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.442 1.089 . . . . 0.0 110.384 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 85.7 -13.9 54.13 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.571 1.169 . . . . 0.0 110.965 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.407 ' N ' ' O ' ' A' ' 34' ' ' ASP . 27.8 m -86.91 132.54 33.78 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.46 0.741 . . . . 0.0 110.396 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 84.4 t -82.76 91.82 2.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.42 HD13 ' HA ' ' A' ' 39' ' ' LEU . 1.2 mm? -102.29 152.01 21.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 63.1 m -118.73 127.71 53.81 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 108.27 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -110.07 144.2 39.0 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.449 1.093 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -87.44 126.29 34.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.522 1.139 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.47 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 0.1 OUTLIER -74.1 113.97 13.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.433 1.083 . . . . 0.0 109.253 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 8.5 pt -115.82 106.84 21.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 14.5 p -95.13 168.64 10.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 108.318 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.93 165.98 2.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.345 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.6 ' O ' HG23 ' A' ' 48' ' ' VAL . 40.2 p30 -163.7 150.39 11.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.618 HG21 ' CB ' ' A' ' 67' ' ' ALA . 37.8 t -157.53 141.55 7.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.294 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mptt -96.99 40.88 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.595 ' H ' HG12 ' A' ' 48' ' ' VAL . 8.9 m-20 -144.53 39.83 1.29 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.252 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -115.78 166.06 12.37 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 108.317 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 5.2 mp -78.66 -86.35 0.07 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.9 p -114.52 141.09 26.07 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.402 1.064 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.96 137.12 21.4 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.458 1.767 . . . . 0.0 110.998 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.62 124.39 6.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.45 1.094 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.6 tt -75.15 124.83 89.54 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.95 120.1 5.94 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.497 1.788 . . . . 0.0 110.989 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 24.5 t80 35.43 41.83 0.1 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.502 1.126 . . . . 0.0 110.969 179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.43 119.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.517 1.136 . . . . 0.0 110.988 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -135.02 -75.64 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 0.783 . . . . 0.0 110.254 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.47 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 48.4 t -178.57 -38.56 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.517 1.136 . . . . 0.0 108.291 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -108.7 102.27 47.14 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 108.278 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.421 ' HA ' ' CB ' ' A' ' 56' ' ' ILE . 18.1 Cg_endo -75.04 69.3 5.62 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.476 1.777 . . . . 0.0 110.929 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.476 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.9 OUTLIER -131.54 176.75 8.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.42 1.075 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -98.44 127.32 36.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.104 . . . . 0.0 108.338 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 175.99 10.51 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.564 1.823 . . . . 0.0 111.077 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.618 ' CB ' HG21 ' A' ' 48' ' ' VAL . . . -134.78 59.7 1.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -130.98 37.27 3.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.322 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.577 HD12 ' N ' ' A' ' 70' ' ' ALA . 4.3 pp -123.46 -48.73 1.93 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.577 ' N ' HD12 ' A' ' 69' ' ' LEU . . . 58.99 158.85 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -175.04 68.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.267 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -43.1 -62.52 1.01 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 0.0 109.272 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.256 -179.964 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.453 0.168 . . . . 0.0 110.991 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.22 -33.81 56.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 170.58 143.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.1 . . . . 0.0 110.335 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' N ' ' CD1' ' A' ' 4' ' ' PHE . 1.0 OUTLIER -128.65 -51.83 1.25 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.08 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 58.26 159.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.532 1.145 . . . . 0.0 110.333 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -104.63 149.81 25.22 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.123 . . . . 0.0 110.293 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -172.64 -60.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.112 . . . . 0.0 109.316 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 113.4 -65.85 0.26 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.6 p -68.64 149.96 48.52 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.53 0.782 . . . . 0.0 110.005 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 16.1 m -110.89 157.38 19.92 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 108.348 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.548 ' O ' HG23 ' A' ' 11' ' ' VAL . 3.1 m -109.65 111.31 35.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -112.87 98.02 6.92 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.425 1.078 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 67.52 9.95 7.4 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.55 1.156 . . . . 0.0 109.284 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 106.11 23.62 7.27 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.539 1.149 . . . . 0.0 111.042 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.513 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 5.8 mm-40 -122.21 139.15 54.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 110.324 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 30.6 ptt180 -82.76 122.66 28.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.285 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.513 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 34.6 m-85 -133.32 128.53 35.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 111.012 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -52.69 -175.34 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.338 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.468 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 1.0 OUTLIER -86.95 -66.36 0.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.7 mttm -50.7 -22.67 2.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.432 1.082 . . . . 0.0 109.211 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.43 149.73 24.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 0.0 109.206 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.83 ' CG2' HD11 ' A' ' 30' ' ' ILE . 2.8 p -136.05 141.38 41.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.485 ' HZ2' HG13 ' A' ' 38' ' ' VAL . 32.9 p90 -137.22 149.14 46.98 Favored 'General case' 0 C--N 1.326 -0.431 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -108.42 101.47 42.78 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.477 1.111 . . . . 0.0 109.268 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -43.4 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.524 1.802 . . . . 0.0 111.054 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -134.54 148.42 67.38 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.55 1.156 . . . . 0.0 110.312 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 52.2 2.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 17.1 t -169.52 -37.25 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 108.28 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.14 132.22 54.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.292 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.83 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -108.77 142.09 22.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 0.0 109.333 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.643 ' N ' HD13 ' A' ' 30' ' ' ILE . 25.4 m -116.22 132.43 56.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 108.31 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.49 HG13 ' CD1' ' A' ' 39' ' ' LEU . 3.1 p -133.19 150.03 32.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.56 1.163 . . . . 0.0 109.27 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.2 t -99.72 105.69 17.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 108.276 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -113.63 106.07 14.08 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 1.149 . . . . 0.0 109.337 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 3.0 m 67.89 28.14 7.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 110.446 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.93 -3.24 87.13 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 53.8 m -91.57 114.04 26.46 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.451 0.736 . . . . 0.0 110.388 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.485 HG13 ' HZ2' ' A' ' 23' ' ' TRP . 90.3 t -83.69 91.98 2.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.484 1.115 . . . . 0.0 109.31 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.997 HD22 ' N ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -109.15 151.76 26.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.997 ' N ' HD22 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -121.17 137.0 54.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.513 1.133 . . . . 0.0 108.305 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.4 134.98 50.46 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 0.0 109.269 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 40.0 p-10 -86.99 133.14 33.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.34 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.496 ' CG2' ' CB ' ' A' ' 61' ' ' CYS . 2.6 tt -78.28 116.9 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 13.2 pt -100.96 106.65 19.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.293 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -101.26 170.71 8.06 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 108.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -84.5 166.01 17.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.331 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -103.9 120.9 41.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.275 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.646 HG23 ' O ' ' A' ' 65' ' ' CYS . 11.6 p -46.35 165.88 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.376 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.48 ' N ' HG22 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -126.25 -67.49 0.87 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 1.134 . . . . 0.0 109.299 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -154.03 55.14 0.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 1.8 t -80.0 -174.51 4.49 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.473 1.108 . . . . 0.0 108.34 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 1.5 mp -93.69 -68.09 0.82 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.9 p -125.79 148.97 64.23 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.466 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.0 138.64 23.28 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.453 1.765 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -155.98 122.66 5.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 110.275 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.67 HD12 ' CA ' ' A' ' 63' ' ' PRO . 0.6 OUTLIER -78.87 125.5 83.91 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.955 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.423 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -74.99 117.66 4.99 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.455 1.766 . . . . 0.0 111.009 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.456 ' O ' ' O ' ' A' ' 59' ' ' GLY . 6.0 t80 35.01 45.01 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.126 . . . . 0.0 110.951 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.456 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.0 123.17 0.01 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.422 ' HG2' ' C ' ' A' ' 59' ' ' GLY . 1.5 mm-40 -138.04 -74.28 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 110.321 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.496 ' CB ' ' CG2' ' A' ' 43' ' ' ILE . 37.2 t 178.73 -37.45 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 108.325 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -105.93 104.47 49.36 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 108.346 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.67 ' CA ' HD12 ' A' ' 56' ' ' ILE . 18.3 Cg_endo -75.03 66.93 6.03 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.79 . . . . 0.0 110.979 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.466 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.5 OUTLIER -140.12 170.69 14.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.561 1.163 . . . . 0.0 109.256 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . 0.646 ' O ' HG23 ' A' ' 48' ' ' VAL . 13.3 t -97.95 117.89 64.52 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 108.279 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 174.1 13.37 Favored 'Trans proline' 0 C--N 1.358 1.073 0 O-C-N 124.52 1.8 . . . . 0.0 110.964 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -111.74 69.49 0.69 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -147.54 -50.73 0.19 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.344 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -127.4 170.71 12.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -156.29 131.99 9.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.316 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -78.01 -61.56 1.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.461 1.101 . . . . 0.0 109.292 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 59.69 84.46 0.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.345 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.336 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.435 0.159 . . . . 0.0 111.021 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.3 p -42.74 154.72 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 11.4 mt-10 58.36 113.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -89.09 179.04 6.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 111.015 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 9.6 pt20 -125.34 146.65 49.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 110.32 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.08 117.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.578 1.174 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -176.26 123.07 0.17 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.51 1.132 . . . . 0.0 109.297 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -85.78 -61.85 1.65 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.462 1.101 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.5 m -118.62 153.22 34.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.002 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.428 ' SG ' HG22 ' A' ' 38' ' ' VAL . 1.4 p -110.86 159.03 18.05 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.126 . . . . 0.0 108.318 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 77.1 t -104.04 111.74 34.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.473 1.108 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.547 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 1.2 tm0? -123.09 97.82 5.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 73.0 5.26 5.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 104.66 19.77 10.78 Favored Glycine 0 CA--C 1.531 1.078 0 O-C-N 124.502 1.126 . . . . 0.0 110.908 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.541 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -119.27 128.29 54.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 0.791 . . . . 0.0 110.304 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 2.3 ptt180 -82.95 114.56 21.31 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.153 . . . . 0.0 110.285 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.541 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 50.0 m-85 -113.44 142.68 45.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.132 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 -60.69 -159.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.297 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -89.06 -68.18 0.79 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.663 ' O ' HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -62.06 -14.92 40.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.277 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -55.21 114.38 1.76 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.588 1.18 . . . . 0.0 109.247 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.663 HG13 ' O ' ' A' ' 20' ' ' LYS . 5.9 m -106.0 150.82 8.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.572 1.17 . . . . 0.0 109.27 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.549 ' CZ2' HG13 ' A' ' 38' ' ' VAL . 28.6 p90 -145.74 146.86 31.39 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 108.023 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.88 101.33 43.81 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 0.0 109.282 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -40.7 0.81 Allowed 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.51 1.795 . . . . 0.0 111.018 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 60.4 mt-10 -142.49 149.85 52.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.309 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 52.59 3.09 Favored 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.528 1.804 . . . . 0.0 110.97 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.826 ' C ' HD12 ' A' ' 43' ' ' ILE . 48.6 t -169.51 -36.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.516 1.135 . . . . 0.0 108.298 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.27 126.84 47.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 110.28 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.939 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pp -109.17 147.33 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.438 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.9 OUTLIER -126.91 133.01 50.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 108.281 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.568 HG23 HG12 ' A' ' 22' ' ' VAL . 7.3 p -135.78 149.6 28.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.562 1.164 . . . . 0.0 109.22 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -93.77 65.55 3.62 Favored 'General case' 0 C--N 1.326 -0.419 0 O-C-N 124.482 1.114 . . . . 0.0 108.384 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.26 127.64 33.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 109.371 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.548 ' O ' HG22 ' A' ' 35' ' ' THR . 50.0 m 56.28 26.79 10.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.339 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 87.23 -17.14 44.51 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.547 1.155 . . . . 0.0 111.044 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 11.8 m -87.7 133.82 33.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.579 0.811 . . . . 0.0 110.366 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 ' CZ2' ' A' ' 23' ' ' TRP . 95.9 t -81.44 91.95 2.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.542 1.151 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.481 HD23 ' HA ' ' A' ' 39' ' ' LEU . 4.3 mt -99.81 142.5 31.21 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.358 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.0 OUTLIER -116.19 127.98 55.24 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 108.263 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 2.2 t0 -107.77 159.73 16.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -90.02 121.71 32.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.939 HD11 HG23 ' A' ' 30' ' ' ILE . 40.0 mt -72.04 99.63 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.249 -179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.9 pt -86.94 107.08 16.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.122 . . . . 0.0 109.256 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.8 p -92.48 170.78 9.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.145 . . . . 0.0 108.361 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -60.55 165.75 3.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.244 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -160.94 171.64 18.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.652 HG12 ' N ' ' A' ' 49' ' ' LYS . 81.0 t -130.91 -106.27 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.611 1.194 . . . . 0.0 109.286 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.652 ' N ' HG12 ' A' ' 48' ' ' VAL . 8.1 tptt -159.68 -73.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.509 1.131 . . . . 0.0 109.386 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 34.5 m-20 -132.57 71.19 1.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.501 1.126 . . . . 0.0 109.327 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -67.65 -164.69 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.112 . . . . 0.0 108.321 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.8 tp -96.94 -66.39 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 0.0 109.293 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 33.6 m -125.33 128.27 24.77 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.39 1.056 . . . . 0.0 110.024 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.93 134.75 18.32 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.433 1.754 . . . . 0.0 111.014 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 11.2 tt0 -157.74 122.14 4.27 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.298 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -71.97 121.93 85.92 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -74.93 122.8 7.47 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.451 1.764 . . . . 0.0 111.032 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.447 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.1 m-85 33.69 40.67 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.931 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.15 119.23 0.01 OUTLIER Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.521 1.138 . . . . 0.0 111.041 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -134.62 -76.03 0.46 Allowed 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.518 0.775 . . . . 0.0 110.277 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 10.2 t -178.32 -38.62 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.456 1.098 . . . . 0.0 108.258 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -110.72 106.04 57.5 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 108.33 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 70.53 5.28 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.463 1.77 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.8 pt -130.9 178.22 5.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -97.63 117.7 65.02 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 108.304 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' C ' ' CG2' ' A' ' 48' ' ' VAL . 18.3 Cg_endo -75.0 -172.3 1.22 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.526 1.803 . . . . 0.0 111.013 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -74.96 -157.84 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.34 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 32.1 p-10 -116.32 90.68 3.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 6.5 mt -76.39 106.45 8.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.301 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.11 101.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.525 1.141 . . . . 0.0 109.275 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -148.79 138.95 22.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . 64.01 169.15 0.16 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.3 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 72.0 m-85 . . . . . 0 N--CA 1.452 -0.336 0 CA-C-O 120.508 0.194 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 75.8 t -110.13 99.72 9.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -56.38 151.99 12.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.161 . . . . 0.0 110.274 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -48.33 156.98 0.36 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.98 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 35.8 mm-40 -56.94 124.77 19.79 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.546 1.154 . . . . 0.0 110.33 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -114.82 -59.57 2.0 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.477 1.111 . . . . 0.0 110.302 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -135.64 146.97 48.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 109.379 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -69.58 -60.39 5.06 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.026 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.3 p -51.43 172.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 0.777 . . . . 0.0 110.07 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 20.6 m -109.5 147.33 33.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.456 1.098 . . . . 0.0 108.276 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.0 t -96.82 111.66 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -120.45 100.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.597 1.186 . . . . 0.0 110.331 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.57 12.58 7.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.303 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.8 28.87 7.19 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.463 1.102 . . . . 0.0 110.93 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.529 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.1 OUTLIER -131.07 133.96 46.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 0.769 . . . . 0.0 110.29 179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -82.94 124.63 30.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.284 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.529 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 52.6 m-85 -129.58 126.48 38.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 111.02 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -47.58 172.51 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.428 1.08 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.452 ' CA ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -73.73 -68.42 0.51 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 1.138 . . . . 0.0 109.264 179.959 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.5 ttpt -53.49 -20.66 5.08 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.458 1.099 . . . . 0.0 109.296 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 -64.44 117.37 7.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.429 1.08 . . . . 0.0 109.345 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.504 ' HA ' HG23 ' A' ' 32' ' ' VAL . 11.2 p -105.17 152.78 6.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.565 1.165 . . . . 0.0 109.327 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . . . . . . . . . 27.9 p90 -145.13 148.24 33.39 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 107.922 -1.14 . . . . 0.0 107.922 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.75 101.35 43.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.261 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 -39.98 1.02 Allowed 'Trans proline' 0 C--N 1.359 1.103 0 O-C-N 124.527 1.804 . . . . 0.0 110.973 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -134.37 145.9 57.19 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.54 1.15 . . . . 0.0 110.338 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 51.92 2.89 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.547 1.814 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.825 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.72 -36.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 108.303 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -124.58 132.77 53.43 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.125 . . . . 0.0 110.255 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.551 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pp -108.78 157.78 8.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.447 1.092 . . . . 0.0 109.344 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -142.64 136.47 29.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 108.269 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.504 HG23 ' HA ' ' A' ' 22' ' ' VAL . 9.2 p -135.54 162.59 37.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' O ' ' CA ' ' A' ' 19' ' ' ASP . 43.4 t -100.98 115.97 31.72 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.459 1.099 . . . . 0.0 108.325 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -116.21 110.89 19.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.227 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 23.0 m 57.63 28.91 16.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.472 1.107 . . . . 0.0 110.372 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.75 7.33 71.45 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.467 1.104 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 45.4 m -108.21 129.66 55.18 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 110.427 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 89.4 t -85.45 102.68 11.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.409 1.068 . . . . 0.0 109.253 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.56 130.86 55.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -99.98 128.12 46.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.451 1.094 . . . . 0.0 108.363 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -111.45 153.67 25.79 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 0.0 109.326 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -72.14 160.28 32.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.825 HD12 ' C ' ' A' ' 28' ' ' CYS . 14.7 mt -104.64 112.73 39.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.332 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 pt -85.56 109.77 18.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -101.17 165.08 11.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 108.356 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.414 ' O ' HD11 ' A' ' 64' ' ' ILE . 1.2 mp0 -65.47 164.29 14.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -100.99 162.13 13.11 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.421 1.076 . . . . 0.0 109.347 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.41 HG12 HD12 ' A' ' 64' ' ' ILE . 8.6 p -120.2 152.7 23.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 7.8 mmtt -131.44 69.36 1.47 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.299 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 53.24 57.8 5.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.16 -176.87 1.25 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 0.0 108.313 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -79.6 -58.41 3.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 109.283 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.6 m -140.18 136.29 16.88 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.577 1.173 . . . . 0.0 109.957 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 137.96 22.39 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.454 1.765 . . . . 0.0 110.947 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -159.0 120.84 3.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 110.305 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.511 HD11 ' N ' ' A' ' 61' ' ' CYS . 1.8 tt -74.06 125.12 90.41 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.02 121.87 6.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.528 1.804 . . . . 0.0 110.952 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' A' ' 59' ' ' GLY . 42.2 t80 35.35 39.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 110.991 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.419 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.87 118.11 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.513 1.133 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -133.59 -76.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.297 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . 0.511 ' N ' HD11 ' A' ' 56' ' ' ILE . 18.8 t -178.38 -38.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 108.307 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 31.5 m -108.15 102.25 45.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.577 1.173 . . . . 0.0 108.312 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 71.85 4.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.499 1.789 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.414 HD11 ' O ' ' A' ' 46' ' ' GLU . 1.2 pt -129.56 177.24 6.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.097 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -98.49 117.95 63.95 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 108.273 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 113.55 3.82 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.443 1.759 . . . . 0.0 110.961 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -52.83 -98.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -144.24 83.04 1.72 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -160.38 89.82 0.85 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . 57.9 91.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.341 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -76.96 -63.75 1.29 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -146.13 110.41 5.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.442 1.089 . . . . 0.0 109.29 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.572 1.17 . . . . 0.0 109.29 -179.995 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.454 -0.263 0 CA-C-O 120.535 0.207 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 6.2 m -142.42 -47.27 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -63.48 89.65 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.481 1.113 . . . . 0.0 110.227 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.425 ' O ' ' CB ' ' A' ' 5' ' ' GLN . 0.2 OUTLIER -162.08 149.37 14.07 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.494 1.121 . . . . 0.0 111.053 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . 0.425 ' CB ' ' O ' ' A' ' 4' ' ' PHE . 0.0 OUTLIER 81.27 -51.67 0.28 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 -179.97 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 63.51 151.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 110.248 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.78 171.97 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.33 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 158.36 -79.66 0.17 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.529 1.143 . . . . 0.0 111.02 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.3 m 175.08 149.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.962 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.419 ' SG ' HG23 ' A' ' 38' ' ' VAL . 5.1 m -110.51 141.35 43.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 108.29 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 73.2 t -97.02 111.92 27.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.496 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -130.13 98.04 4.62 Favored 'General case' 0 C--N 1.323 -0.546 0 O-C-N 124.577 1.173 . . . . 0.0 110.275 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.16 7.19 5.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.276 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 101.72 21.42 11.3 Favored Glycine 0 CA--C 1.531 1.069 0 O-C-N 124.56 1.162 . . . . 0.0 110.967 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.535 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.9 OUTLIER -118.44 120.05 36.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.545 0.791 . . . . 0.0 110.357 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.2 mtm180 -82.92 106.5 14.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.438 1.086 . . . . 0.0 110.296 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.535 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 89.9 m-85 -105.76 162.0 13.92 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 110.979 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -71.39 -161.26 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.261 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.403 ' OD1' ' O ' ' A' ' 33' ' ' CYS . 2.9 t0 -88.64 -68.06 0.79 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.095 . . . . 0.0 109.346 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -61.91 -14.46 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.173 . . . . 0.0 109.268 179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.47 127.52 32.57 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.34 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.805 HG22 ' CG2' ' A' ' 32' ' ' VAL . 92.8 t -114.21 153.15 15.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.523 ' CE2' ' HB3' ' A' ' 31' ' ' CYS . 35.1 p90 -141.05 152.76 45.09 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.601 1.188 . . . . 0.0 108.045 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.481 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -108.29 100.99 40.16 Favored Pre-proline 0 C--N 1.324 -0.519 0 O-C-N 124.587 1.18 . . . . 0.0 109.307 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.89 -47.24 0.21 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.444 1.76 . . . . 0.0 111.047 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -144.11 153.23 56.38 Favored Pre-proline 0 C--N 1.326 -0.415 0 O-C-N 124.41 1.069 . . . . 0.0 110.264 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.405 ' O ' ' O ' ' A' ' 60' ' ' GLU . 18.1 Cg_endo -75.03 54.52 3.68 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.502 1.791 . . . . 0.0 110.976 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.835 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.0 OUTLIER -169.24 -37.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.541 1.151 . . . . 0.0 108.244 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.45 134.13 53.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.481 HG22 ' HD2' ' A' ' 24' ' ' LYS . 1.1 pt -113.95 148.07 17.05 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.536 1.148 . . . . 0.0 109.32 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.523 ' HB3' ' CE2' ' A' ' 23' ' ' TRP . 1.2 m -127.22 147.42 50.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 108.327 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.805 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.0 p -155.0 129.63 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.42 1.075 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 19' ' ' ASP . 26.2 t -69.84 67.2 0.26 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.396 1.06 . . . . 0.0 108.293 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.412 ' N ' ' O ' ' A' ' 32' ' ' VAL . 24.4 t70 -76.78 124.88 28.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.337 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.425 ' O ' HG22 ' A' ' 35' ' ' THR . 86.5 m 61.98 26.95 16.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 110.457 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 80.83 -5.76 64.42 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.437 1.085 . . . . 0.0 110.971 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 47.4 m -103.14 140.69 37.01 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.54 0.788 . . . . 0.0 110.379 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.419 HG23 ' SG ' ' A' ' 10' ' ' CYS . 42.5 t -81.81 91.89 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tp -105.1 124.67 49.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.104 . . . . 0.0 109.307 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.403 ' SG ' ' O ' ' A' ' 30' ' ' ILE . 0.1 OUTLIER -100.14 128.24 46.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 108.368 179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -107.23 161.61 14.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.3 p-10 -82.76 135.93 34.84 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.835 HD12 ' CA ' ' A' ' 28' ' ' CYS . 48.8 mt -74.27 98.89 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 109.353 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.7 pt -90.9 110.64 22.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -107.94 116.72 32.47 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 108.318 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -60.68 161.5 7.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 110.292 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.56 ' CG ' HD12 ' A' ' 64' ' ' ILE . 18.0 t0 -124.33 177.59 5.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.544 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 0.3 OUTLIER -168.14 173.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 109.258 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.442 ' C ' ' N ' ' A' ' 51' ' ' CYS . 8.9 mttt -126.87 -44.09 1.66 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.404 ' O ' ' O ' ' A' ' 51' ' ' CYS . 0.2 OUTLIER -42.06 -28.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.242 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.512 ' HB3' ' CG1' ' A' ' 48' ' ' VAL . 0.8 OUTLIER -57.33 -163.71 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 108.289 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.439 ' N ' ' SG ' ' A' ' 51' ' ' CYS . 0.1 OUTLIER -111.5 -59.0 2.04 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.515 1.135 . . . . 0.0 109.279 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.4 p -142.11 150.59 56.26 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.538 1.149 . . . . 0.0 109.991 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.502 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.2 Cg_endo -75.04 136.04 19.8 Favored 'Trans proline' 0 C--N 1.361 1.227 0 O-C-N 124.46 1.768 . . . . 0.0 111.008 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.0 OUTLIER -155.67 138.72 15.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.247 179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.1 OUTLIER -71.37 114.04 24.55 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.02 120.63 6.14 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.468 1.772 . . . . 0.0 110.974 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' A' ' 59' ' ' GLY . 28.9 t80 35.19 42.1 0.09 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.952 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.425 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 58.02 120.24 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.521 1.138 . . . . 0.0 110.954 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.405 ' O ' ' O ' ' A' ' 27' ' ' PRO . 1.3 mm-40 -135.84 -72.15 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 0.751 . . . . 0.0 110.349 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 2.5 t 179.76 -37.79 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 108.359 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 23.9 p -121.78 119.16 29.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 108.263 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.1 73.09 4.49 Favored 'Trans proline' 0 C--N 1.361 1.234 0 O-C-N 124.443 1.759 . . . . 0.0 110.999 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.56 HD12 ' CG ' ' A' ' 47' ' ' ASP . 0.2 OUTLIER -130.01 169.61 20.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.338 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 10.0 p -97.4 117.66 65.26 Favored Pre-proline 0 C--N 1.324 -0.539 0 O-C-N 124.486 1.116 . . . . 0.0 108.311 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 -177.57 3.58 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.578 1.83 . . . . 0.0 110.909 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.544 ' HB2' ' CG2' ' A' ' 48' ' ' VAL . . . -123.82 46.85 2.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.1 t0 -105.24 -38.61 6.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.412 1.07 . . . . 0.0 109.29 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.541 ' O ' ' HB2' ' A' ' 70' ' ' ALA . 3.3 pp -120.3 127.59 52.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.295 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.541 ' HB2' ' O ' ' A' ' 69' ' ' LEU . . . 172.61 168.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.102 . . . . 0.0 109.32 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 56.02 100.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.099 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -85.22 106.38 16.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.575 1.172 . . . . 0.0 109.321 -180.0 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 . . . . . 0 N--CA 1.453 -0.298 0 CA-C-O 120.454 0.168 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 p -167.82 135.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 0.0 109.35 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -174.29 100.0 0.1 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.534 1.146 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 95.3 m-85 -145.8 130.43 17.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.929 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 58.78 161.14 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.359 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -122.54 130.65 53.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.568 1.168 . . . . 0.0 110.324 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -50.11 102.3 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.556 1.16 . . . . 0.0 109.229 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -130.26 75.95 0.42 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.459 1.099 . . . . 0.0 111.021 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 62.02 170.89 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 0.766 . . . . 0.0 110.06 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 29.2 m -110.2 141.78 42.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 108.272 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 71.6 t -99.6 111.87 30.39 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.567 1.167 . . . . 0.0 109.297 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.0 101.61 5.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 110.351 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 70.47 7.95 6.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.18 24.88 9.93 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.559 1.162 . . . . 0.0 110.948 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 3.2 mm100 -120.34 119.64 33.72 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 110.321 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 46.7 mtt85 -82.91 120.86 26.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 110.285 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 82.3 m-85 -120.91 142.06 50.06 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 7.8 t-20 -52.07 -176.8 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.518 1.136 . . . . 0.0 109.297 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -77.19 -68.28 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.244 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.773 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -63.1 -13.6 38.43 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.539 1.149 . . . . 0.0 109.347 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 104.2 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.619 1.199 . . . . 0.0 109.303 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.773 HG23 ' O ' ' A' ' 20' ' ' LYS . 57.3 t -98.87 138.81 22.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.147 . . . . 0.0 109.327 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.538 ' CZ2' HG21 ' A' ' 38' ' ' VAL . 21.7 p90 -143.54 147.52 34.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 108.017 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.502 ' CB ' HG22 ' A' ' 30' ' ' ILE . 0.1 OUTLIER -108.89 101.34 43.88 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.531 1.144 . . . . 0.0 109.338 179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -36.41 2.58 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.423 1.749 . . . . 0.0 110.963 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 mt-10 -129.76 145.89 58.93 Favored Pre-proline 0 C--N 1.326 -0.438 0 O-C-N 124.547 1.155 . . . . 0.0 110.25 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.475 ' HA ' ' CE ' ' A' ' 24' ' ' LYS . 18.3 Cg_endo -75.08 51.92 2.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.466 1.772 . . . . 0.0 111.062 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.834 ' C ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.97 -36.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.33 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.71 HH21 ' H ' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -124.12 131.61 53.56 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.477 1.111 . . . . 0.0 110.243 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.892 HG23 HD11 ' A' ' 43' ' ' ILE . 1.2 pt -115.62 131.81 66.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.411 1.07 . . . . 0.0 109.318 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -105.23 138.1 41.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 108.278 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.734 ' CG2' HG22 ' A' ' 22' ' ' VAL . 1.7 p -138.58 129.46 35.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.577 1.173 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 9.3 t -72.57 61.24 0.5 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 108.296 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -73.04 124.16 24.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 109.228 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 35' ' ' THR . 24.7 m 61.63 28.59 17.73 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.365 1.041 . . . . 0.0 110.426 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 84.27 -7.47 71.79 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 5.9 m -104.93 129.48 53.31 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.485 0.756 . . . . 0.0 110.367 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.538 HG21 ' CZ2' ' A' ' 23' ' ' TRP . 2.2 p -92.0 101.63 12.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 109.304 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -112.54 142.1 45.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.472 1.108 . . . . 0.0 109.284 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.8 m -99.6 128.41 45.71 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.534 1.146 . . . . 0.0 108.303 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 49.9 m-20 -115.06 162.81 16.5 Favored 'General case' 0 C--N 1.327 -0.413 0 O-C-N 124.521 1.138 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.418 ' HA ' ' NE ' ' A' ' 29' ' ' ARG . 6.1 m-20 -74.56 134.88 42.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.892 HD11 HG23 ' A' ' 30' ' ' ILE . 98.3 mt -85.16 101.43 9.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 109.278 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.4 pt -86.0 108.23 17.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.603 1.189 . . . . 0.0 109.275 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -100.26 146.17 27.23 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.513 1.133 . . . . 0.0 108.299 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -91.47 140.69 29.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.488 1.118 . . . . 0.0 110.293 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.937 ' CG ' HD11 ' A' ' 64' ' ' ILE . 13.0 p30 175.73 -176.31 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.352 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 78.6 t -135.09 145.81 31.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 109.333 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -92.11 45.69 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -149.89 52.93 0.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.435 1.084 . . . . 0.0 109.329 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 10.4 t -119.7 168.67 10.82 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.407 1.067 . . . . 0.0 108.295 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -60.17 -85.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 69.8 p -111.24 137.27 20.96 Favored Pre-proline 0 C--N 1.327 -0.4 0 O-C-N 124.503 1.127 . . . . 0.0 110.015 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.476 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.3 Cg_endo -74.98 139.43 24.31 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.509 1.794 . . . . 0.0 111.053 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -158.66 124.91 4.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 110.301 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.407 HG13 ' O ' ' A' ' 62' ' ' CYS . 1.2 tt -78.07 123.85 86.06 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.4 Cg_endo -75.03 118.53 5.29 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 111.047 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 59' ' ' GLY . 11.0 t80 35.7 43.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.445 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.27 121.15 0.01 OUTLIER Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.53 1.143 . . . . 0.0 111.025 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -136.42 -76.94 0.42 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.517 0.775 . . . . 0.0 110.346 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 14.7 t -178.96 -37.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.431 1.082 . . . . 0.0 108.351 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.407 ' O ' HG13 ' A' ' 56' ' ' ILE . 0.0 OUTLIER -106.03 104.14 48.07 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.564 1.165 . . . . 0.0 108.316 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 64.75 6.09 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.49 1.784 . . . . 0.0 110.969 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.937 HD11 ' CG ' ' A' ' 47' ' ' ASP . 0.4 OUTLIER -135.83 168.81 21.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.272 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 1.8 t -97.85 121.78 56.73 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 177.81 8.1 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.492 1.785 . . . . 0.0 111.018 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -42.51 -51.56 5.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.334 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.431 ' O ' ' N ' ' A' ' 70' ' ' ALA . 13.6 p30 169.84 79.99 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 5.5 mt 63.59 -80.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 68' ' ' ASP . . . -162.47 111.51 1.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.1 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . 62.06 177.36 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.563 1.164 . . . . 0.0 109.303 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -94.8 119.24 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.528 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.989 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.528 0.204 . . . . 0.0 110.989 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.4 p -176.1 -39.78 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.278 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.16 122.9 7.41 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 -80.76 138.08 36.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.434 1.084 . . . . 0.0 111.089 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 3.1 mp0 -67.73 143.41 55.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.084 . . . . 0.0 110.313 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.79 104.28 12.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 110.299 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -68.19 115.84 8.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 135.63 -54.32 0.74 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.454 1.096 . . . . 0.0 110.961 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -125.48 150.54 47.26 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 0.753 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -110.47 135.53 51.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 108.366 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 66.3 t -100.71 111.73 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.098 . . . . 0.0 109.295 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.541 ' HG3' ' CZ2' ' A' ' 23' ' ' TRP . 4.6 tm0? -123.45 97.82 5.57 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.542 1.151 . . . . 0.0 110.339 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 69.67 8.66 6.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.89 21.23 9.78 Favored Glycine 0 CA--C 1.532 1.099 0 O-C-N 124.512 1.133 . . . . 0.0 111.026 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.2 mp0 -119.28 130.39 55.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.57 0.806 . . . . 0.0 110.28 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -83.07 109.21 16.93 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.546 1.154 . . . . 0.0 110.262 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 45.9 m-85 -113.17 161.32 17.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 110.999 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -79.49 -169.8 2.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.28 -179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.417 ' HA ' ' O ' ' A' ' 33' ' ' CYS . 7.0 m-20 -86.71 -64.56 1.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.489 1.118 . . . . 0.0 109.261 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.8 tttp -62.57 -14.25 40.34 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -58.91 124.49 20.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 109.261 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.931 ' CG2' HD11 ' A' ' 30' ' ' ILE . 6.1 p -110.04 148.94 13.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.285 -179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.541 ' CZ2' ' HG3' ' A' ' 12' ' ' GLN . 23.2 p90 -149.86 146.71 27.26 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.026 -1.101 . . . . 0.0 108.026 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.11 100.79 42.2 Favored Pre-proline 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.417 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -39.35 1.22 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.482 1.78 . . . . 0.0 110.964 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.6 mt-10 -135.75 147.72 62.45 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 110.264 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . 0.415 ' C ' ' O ' ' A' ' 60' ' ' GLU . 18.3 Cg_endo -74.95 52.76 3.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.505 1.792 . . . . 0.0 110.986 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.657 ' CA ' HD12 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -169.79 -36.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 0.0 108.338 -179.99 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.84 131.98 53.68 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.329 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.931 HD11 ' CG2' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -113.14 137.95 44.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.472 1.107 . . . . 0.0 109.273 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.432 ' N ' HD13 ' A' ' 30' ' ' ILE . 1.3 m -113.87 136.82 52.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 0.0 108.274 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.99 126.0 13.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.334 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 19' ' ' ASP . 15.2 t -70.33 70.13 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 108.269 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -75.58 124.47 27.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.429 1.081 . . . . 0.0 109.241 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 19.7 m 58.24 26.08 13.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.418 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 88.1 -18.3 41.45 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 21.6 m -86.12 126.06 33.94 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.573 0.808 . . . . 0.0 110.438 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 54.2 t -81.27 93.2 2.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.544 1.152 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.885 HD12 ' N ' ' A' ' 40' ' ' CYS . 0.2 OUTLIER -108.92 149.48 29.11 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.522 1.139 . . . . 0.0 109.277 -179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.885 ' N ' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -114.73 128.82 56.52 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 108.309 179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.408 ' CG ' ' N ' ' A' ' 42' ' ' ASP . 7.0 t70 -105.46 165.34 11.2 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.408 ' N ' ' CG ' ' A' ' 41' ' ' ASP . 8.9 p30 -88.31 127.1 35.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.657 HD12 ' CA ' ' A' ' 28' ' ' CYS . 62.8 mt -70.83 98.66 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.584 1.177 . . . . 0.0 109.257 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 15.3 pt -86.32 109.97 19.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -109.0 155.55 20.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 1.113 . . . . 0.0 108.3 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -80.79 165.74 21.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.488 1.117 . . . . 0.0 110.367 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.427 ' HA ' HD11 ' A' ' 64' ' ' ILE . 3.9 p30 -139.09 132.19 29.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.72 HG21 ' CA ' ' A' ' 67' ' ' ALA . 70.2 t -142.88 111.53 2.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.344 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.32 -16.14 55.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.281 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.469 ' HB2' ' CG1' ' A' ' 48' ' ' VAL . 5.2 m-20 -53.65 -32.29 50.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.616 1.197 . . . . 0.0 109.259 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -64.36 -153.09 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.475 1.109 . . . . 0.0 108.243 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -148.89 -65.55 0.23 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.523 1.14 . . . . 0.0 109.312 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.3 m -90.25 120.66 69.11 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.584 1.178 . . . . 0.0 109.984 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.473 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.4 Cg_endo -75.0 143.79 29.47 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.521 1.8 . . . . 0.0 110.99 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 64' ' ' ILE . 5.6 tt0 -158.97 125.7 4.67 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.481 1.113 . . . . 0.0 110.319 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . . . . . . . . . 1.3 tt -84.31 124.42 73.87 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.497 1.123 . . . . 0.0 109.298 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.424 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.3 Cg_endo -75.04 118.25 5.19 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.499 1.789 . . . . 0.0 110.99 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.467 ' O ' ' O ' ' A' ' 59' ' ' GLY . 22.5 t80 35.2 43.89 0.14 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.467 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 56.63 121.61 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.498 1.124 . . . . 0.0 110.996 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 27' ' ' PRO . 1.6 mm-40 -135.79 -75.75 0.44 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 0.756 . . . . 0.0 110.29 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 4.6 t -179.32 -36.6 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.433 1.083 . . . . 0.0 108.306 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.7 m -108.95 101.04 42.88 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 108.326 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 65.91 6.03 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.499 1.789 . . . . 0.0 110.957 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.473 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 1.7 pt -135.15 177.43 6.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.602 1.189 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 33.7 t -97.72 117.51 65.18 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 0.0 108.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 179.27 6.24 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.449 1.762 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.72 ' CA ' HG21 ' A' ' 48' ' ' VAL . . . -53.73 -58.0 8.79 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.518 1.136 . . . . 0.0 109.347 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 174.8 85.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.588 1.18 . . . . 0.0 109.248 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 4.8 mt 52.03 -179.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -61.99 160.64 12.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -43.29 112.14 0.34 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.529 1.143 . . . . 0.0 109.286 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -72.78 175.38 6.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.425 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' TYR . . . . . . . . . . . . . 3.2 t80 . . . . . 0 N--CA 1.454 -0.25 0 CA-C-O 120.504 0.192 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.2 p -122.31 140.97 44.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -171.76 120.14 0.46 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.535 1.147 . . . . 0.0 110.222 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -147.43 107.83 4.09 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 111.061 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 16.4 pt20 -163.82 156.46 17.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 110.363 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 60.05 153.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 110.247 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -161.59 91.52 0.84 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.533 1.146 . . . . 0.0 109.362 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 141.61 -61.01 0.54 Allowed Glycine 0 CA--C 1.529 0.925 0 O-C-N 124.536 1.148 . . . . 0.0 111.048 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 m -76.92 116.88 17.98 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 0.733 . . . . 0.0 109.974 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 38' ' ' VAL . 1.2 m -115.54 136.6 52.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.511 1.132 . . . . 0.0 108.299 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 72.8 t -98.87 111.77 29.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.596 1.185 . . . . 0.0 109.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.494 ' HG3' ' CE2' ' A' ' 23' ' ' TRP . 3.6 tm0? -129.09 98.47 4.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.248 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 72.88 5.64 5.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 109.312 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 103.35 20.48 11.01 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.515 1.135 . . . . 0.0 110.959 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.559 ' HB3' ' CE2' ' A' ' 17' ' ' TYR . 0.0 OUTLIER -117.81 122.97 44.81 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.465 0.744 . . . . 0.0 110.356 179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 ttt180 -82.89 123.89 29.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . 0.559 ' CE2' ' HB3' ' A' ' 15' ' ' GLN . 80.3 m-85 -128.28 147.95 50.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 111.035 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -58.24 -161.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.472 1.107 . . . . 0.0 109.314 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 33' ' ' CYS . 0.7 OUTLIER -87.84 -63.12 1.35 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.551 1.157 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.537 ' O ' HG23 ' A' ' 22' ' ' VAL . 0.0 OUTLIER -68.04 -9.82 48.96 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -59.45 112.21 1.68 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.568 HG22 ' CG2' ' A' ' 32' ' ' VAL . 59.8 t -99.98 142.67 14.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TRP . . . . . 0.545 ' CZ2' ' HB3' ' A' ' 31' ' ' CYS . 34.6 p90 -133.7 149.53 51.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 107.983 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.65 ' HD2' HG22 ' A' ' 30' ' ' ILE . 0.0 OUTLIER -109.33 100.71 42.53 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -45.27 0.29 Allowed 'Trans proline' 0 C--N 1.361 1.217 0 O-C-N 124.446 1.761 . . . . 0.0 111.066 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -139.71 150.83 64.41 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.557 1.161 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 52.87 3.17 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.474 1.776 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . 0.885 ' C ' HD12 ' A' ' 43' ' ' ILE . 44.4 t -169.53 -36.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 108.31 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -122.72 131.79 53.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.44 1.088 . . . . 0.0 110.262 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ILE . . . . . 0.823 HG23 HD11 ' A' ' 43' ' ' ILE . 1.3 pt -112.09 154.02 13.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' CYS . . . . . 0.545 ' HB3' ' CZ2' ' A' ' 23' ' ' TRP . 0.5 OUTLIER -139.5 146.28 39.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 108.315 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.568 ' CG2' HG22 ' A' ' 22' ' ' VAL . 2.3 p -153.01 147.44 14.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.402 ' O ' ' O ' ' A' ' 19' ' ' ASP . 8.7 t -81.4 64.78 6.27 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 108.335 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -71.7 121.52 19.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.123 . . . . 0.0 109.223 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 8.1 m 60.28 26.12 15.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.366 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.1 -14.3 54.0 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 3.2 m -93.68 142.26 27.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 0.772 . . . . 0.0 110.37 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 10' ' ' CYS . 85.5 t -85.85 91.96 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 0.0 109.262 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -104.04 130.14 51.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.439 1.087 . . . . 0.0 109.262 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -100.05 128.01 46.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.532 1.145 . . . . 0.0 108.291 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.44 149.81 25.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.582 1.176 . . . . 0.0 109.291 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -74.53 160.05 31.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 109.306 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.885 HD12 ' C ' ' A' ' 28' ' ' CYS . 40.1 mt -114.77 116.86 53.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 12.1 pt -85.82 106.84 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.599 1.187 . . . . 0.0 109.271 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.429 ' SG ' ' N ' ' A' ' 46' ' ' GLU . 9.6 t -89.76 162.12 15.7 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 108.308 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.436 ' OE1' ' N ' ' A' ' 46' ' ' GLU . 17.2 mp0 -61.06 166.19 3.73 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 110.267 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.565 ' CG ' HG23 ' A' ' 48' ' ' VAL . 13.3 p-10 -109.61 -166.15 1.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.252 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.602 HG11 ' HB3' ' A' ' 67' ' ' ALA . 21.8 t 68.65 106.93 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.113 . . . . 0.0 109.335 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.9 mttt -114.01 44.26 1.69 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.259 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 43.3 p30 -149.46 41.68 0.88 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.547 1.155 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 52.3 t -97.28 156.84 16.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 108.335 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 7.1 mt -40.35 -75.7 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 4.3 m -120.26 120.82 29.77 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.451 ' CB ' ' HA ' ' A' ' 64' ' ' ILE . 18.6 Cg_endo -74.95 133.97 17.33 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.473 1.775 . . . . 0.0 111.061 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' O ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -150.5 131.24 14.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 110.285 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.416 ' O ' ' CG2' ' A' ' 56' ' ' ILE . 0.2 OUTLIER -71.59 119.25 72.95 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.964 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.437 ' O ' ' C ' ' A' ' 58' ' ' PHE . 18.5 Cg_endo -74.99 121.84 6.83 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.485 1.782 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.437 ' C ' ' O ' ' A' ' 57' ' ' PRO . 1.5 m-85 33.56 42.03 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.993 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.436 ' O ' ' O ' ' A' ' 58' ' ' PHE . . . 57.78 120.86 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.638 1.211 . . . . 0.0 111.079 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -135.77 -74.54 0.45 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.268 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 50.3 t -179.49 -38.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 108.31 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.426 ' SG ' ' O ' ' A' ' 62' ' ' CYS . 12.6 p -115.58 113.12 42.89 Favored Pre-proline 0 C--N 1.326 -0.425 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 77.79 3.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.571 1.827 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.451 ' HA ' ' CB ' ' A' ' 54' ' ' PRO . 0.3 OUTLIER -132.79 161.45 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.278 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -98.02 137.15 20.85 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.568 1.167 . . . . 0.0 108.368 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.68 5.85 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.471 1.774 . . . . 0.0 111.0 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.602 ' HB3' HG11 ' A' ' 48' ' ' VAL . . . -166.94 97.53 0.53 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.542 1.151 . . . . 0.0 109.351 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -139.11 -47.85 0.48 Allowed 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.458 1.099 . . . . 0.0 109.248 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 1.1 mt -72.62 112.11 8.38 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.339 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.17 158.58 43.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.142 . . . . 0.0 109.305 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.63 169.12 18.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 109.254 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . . . . . . . . . . . -132.56 164.22 27.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.565 1.166 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 -179.967 . . . . . . . . 0 0 . 1 stop_ save_