data_1pnb_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 1pnb _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 ' 1' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 1' ' ' GLN . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.25 12.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -39.95 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.6 mttm -56.66 -40.85 76.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -56.87 -68.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -38.0 51.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 11' ' ' GLN . 12.3 mmt85 -64.75 -71.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -37.19 -41.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.45 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -48.1 18.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 10.1 mm-40 -75.92 -91.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.706 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 174.2 71.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.706 ' C ' ' O ' ' A' ' 13' ' ' GLN . 28.0 m170 -5.32 113.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.451 1.095 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.34 162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 19' ' ' GLN . 33.4 mtt85 -114.96 -46.37 2.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.09 -29.17 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' GLN . 4.5 m -79.09 -30.99 44.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 108.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -35.08 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.1 mt-30 -59.13 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.894 ' CE2' ' O ' ' B' ' 56' ' ' LYS . 0.1 OUTLIER -53.09 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 21' ' ' TRP . 1.2 pp -30.09 -45.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 65.4 ttt-85 -84.69 -69.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.3 tm0? -40.37 -40.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.6 tp60 -39.26 -38.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.582 ' CD2' ' CZ ' ' B' ' 46' ' ' PHE . 27.3 mt -39.7 -48.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' B' ' 13' ' ' GLN . 10.3 mp -79.16 -44.89 21.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.417 ' NE ' ' OD1' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -38.82 -41.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' B' ' 16' ' ' ASN . 36.5 mt-10 -42.96 -43.46 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -43.57 -39.68 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -55.28 33.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.634 ' O ' ' N ' ' B' ' 19' ' ' TYR . 4.8 t -64.43 -46.52 82.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -38.5 -38.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -64.26 -47.19 80.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' B' ' 15' ' ' CYS . 1.5 pp -81.57 -47.41 13.1 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.634 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -53.94 -54.51 37.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -38.57 -37.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' CG ' ' B' ' 22' ' ' ASP . 0.0 OUTLIER -90.95 -150.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -98.36 120.78 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' B' ' 25' ' ' CYS . 0.3 OUTLIER -41.6 -20.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -40.92 -28.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.654 ' O ' ' OG1' ' B' ' 29' ' ' THR . 37.5 m -113.91 66.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 108.219 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.743 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 2.2 t -104.01 -85.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.864 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 38.9 t -66.17 -29.13 2.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.864 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -9.89 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.654 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -83.67 -36.29 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.906 ' N ' ' CD2' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.42 -47.15 13.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.8 mtmt -38.01 -57.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -35.31 62.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.571 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -57.74 -59.08 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.54 ' CB ' ' CE1' ' B' ' 52' ' ' TYR . . . -41.02 -39.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -41.25 -46.78 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 48.8 m -78.76 -49.7 12.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.573 ' O ' ' C ' ' B' ' 38' ' ' ARG . 86.4 t -44.33 -79.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.701 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.8 OUTLIER -23.51 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.701 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 m 2.09 99.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.605 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -19.0 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 55.82 -82.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.397 1.061 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.1 mp0 -109.94 -2.43 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' B' ' 46' ' ' PHE . 7.6 t60 -139.63 64.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -23.86 -91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.88 42.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.615 1.85 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' B' ' 43' ' ' HIS . 0.5 OUTLIER -174.57 -178.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' B' ' 51' ' ' ILE . 23.7 mt-30 -126.52 56.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -38.92 -37.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.077 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -49.98 61.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -78.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 47' ' ' GLN . 3.5 tp -37.84 -34.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.54 ' CE1' ' CB ' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -53.73 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.508 ' O ' ' C ' ' B' ' 54' ' ' ILE . 5.4 tm0? -59.11 -67.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 1.135 ' O ' ' O ' ' B' ' 55' ' ' ALA . 2.2 pp -32.27 -70.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 6.96 -153.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.894 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 163.29 121.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.77 ' O ' ' CZ3' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -20.76 -46.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.774 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 6.3 mt -158.78 -55.59 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.774 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 162.15 93.42 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.989 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.774 ' O ' ' N ' ' B' ' 62' ' ' CYS . 7.5 m-20 151.34 -59.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.708 ' C ' ' O ' ' B' ' 60' ' ' ASN . 78.4 t -4.82 -61.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.774 ' N ' ' O ' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -129.93 -80.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.732 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 24.7 t30 131.36 44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.455 ' SD ' ' OH ' ' B' ' 19' ' ' TYR . 2.5 ptp -143.66 99.46 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -76.76 -3.01 35.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -14.54 52.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -96.29 -58.0 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 148.25 162.23 10.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.517 ' O ' ' SG ' ' B' ' 27' ' ' CYS . 0.5 OUTLIER -158.82 155.15 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.66 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 10.2 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -75.06 128.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -39.4 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.35 -40.43 94.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.63 -60.98 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 108.246 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -52.47 -43.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' GLU . 7.1 ttp180 -64.01 -57.02 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.3 mm-40 -38.3 -42.66 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.842 ' CE1' ' CG ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -44.71 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.8 tt0 -76.34 -38.39 55.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -37.25 -42.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.0 -92.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.703 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 177.43 69.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.842 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 19.3 m170 1.13 107.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.606 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -39.52 171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ALA . 12.8 mtp85 -113.52 -53.75 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -40.58 -48.19 2.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.6 m -82.15 -39.99 22.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 108.29 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.568 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -47.17 -34.52 6.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -35.56 -74.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -59.04 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.063 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.555 ' N ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -31.97 -47.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -87.04 -70.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -37.01 -34.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 21' ' ' TRP . 2.8 mm-40 -33.73 -40.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.48 -60.4 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 28.2 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.41 -39.98 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 16' ' ' ASN . 0.5 OUTLIER -45.18 -40.67 7.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.221 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -50.44 -44.93 55.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 108.216 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -54.19 -51.74 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -40.18 -36.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.483 ' C ' ' CD ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -72.24 -38.75 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.214 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.1 OUTLIER -66.69 -49.69 65.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.78 -37.41 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.34 -37.96 65.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.24 -149.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.538 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -119.65 115.81 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.63 -0.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.538 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -59.47 -37.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.743 ' O ' ' CG2' ' B' ' 29' ' ' THR . 13.5 m -109.47 19.44 19.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.586 ' C ' ' OG1' ' B' ' 29' ' ' THR . 2.8 t -88.44 -23.44 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.647 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -86.33 -45.47 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 108.271 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.5 Cg_endo -74.9 -4.71 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.609 1.847 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.743 ' CG2' ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -72.3 -43.62 63.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.791 ' C ' ' CD1' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -68.21 -49.18 62.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -37.34 -44.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.41 -41.23 80.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -65.54 -45.66 82.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -64.99 -41.36 95.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -60.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 109.201 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -77.74 -52.75 8.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.669 ' O ' ' C ' ' B' ' 38' ' ' ARG . 14.1 t -41.5 -76.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.702 ' O ' ' C ' ' B' ' 39' ' ' VAL . 4.2 ttp180 -10.9 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.702 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 t 3.33 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.675 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -8.88 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 56.02 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.1 OUTLIER -123.37 -2.3 8.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 0.777 . . . . 0.0 110.269 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' B' ' 40' ' ' GLN . 15.9 t60 -119.46 54.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.763 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -77.62 -33.72 41.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . 0.763 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.07 149.31 36.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -91.22 141.32 28.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 177.26 -27.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.838 ' O ' ' N ' ' B' ' 52' ' ' TYR . 38.4 m -82.7 -44.29 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.919 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.433 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -36.18 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -64.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' B' ' 55' ' ' ALA . 0.3 OUTLIER -71.63 -40.18 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' B' ' 48' ' ' SER . 11.3 t80 -37.52 -36.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.44 -56.44 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.668 ' CG1' ' N ' ' B' ' 55' ' ' ALA . 1.7 pp -80.96 -80.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.712 ' C ' ' CG ' ' B' ' 56' ' ' LYS . . . 175.63 -158.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.92 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -171.01 100.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.65 ' O ' ' CD2' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -35.62 -54.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.827 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 4.2 mt -169.34 -53.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.743 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -75.02 163.91 89.61 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.018 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.713 ' O ' ' C ' ' B' ' 61' ' ' VAL . 5.2 m-20 152.16 -56.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.713 ' C ' ' O ' ' B' ' 60' ' ' ASN . 3.1 t 2.44 -90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.571 ' N ' ' CG1' ' B' ' 61' ' ' VAL . 0.9 OUTLIER -152.89 18.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' B' ' 62' ' ' CYS . 1.7 p30 38.34 33.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' B' ' 64' ' ' MET . 20.8 ptp -71.3 77.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -63.17 -3.16 1.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' B' ' 64' ' ' MET . 3.3 mt-30 -78.59 -37.28 42.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -100.33 -63.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 146.1 164.33 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.951 ' O ' ' SG ' ' B' ' 70' ' ' CYS . 0.5 OUTLIER -85.44 119.71 26.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 0.772 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.951 ' SG ' ' O ' ' B' ' 69' ' ' THR . 74.9 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 108.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.22 -39.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -43.54 -46.31 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -58.55 -72.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' GLN . 5.2 mmm180 -66.75 -38.91 87.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.8 mm-40 -58.39 -72.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -41.87 -38.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -67.06 -41.01 87.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.13 -37.1 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 49.9 mm-40 -59.64 -88.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.713 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 175.71 64.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.713 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -1.59 114.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.635 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.584 ' O ' ' CG ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -32.07 153.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 50.3 mtp180 -91.88 -64.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 78.1 m -78.69 -45.48 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -33.33 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -41.94 -64.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 1.3 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.8 OUTLIER -75.05 -70.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 108.059 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -21.82 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 21' ' ' TRP . 7.6 ttt180 -87.39 -57.58 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.1 tt0 -51.62 -38.23 53.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -37.23 -44.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -69.68 -50.02 47.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 13' ' ' GLN . 7.1 mp -75.47 -42.33 53.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' B' ' 14' ' ' CYS . 2.4 ptt-85 -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.504 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 15.5 tt0 -40.76 -40.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -44.48 -39.95 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . 0.411 ' N ' ' O ' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -49.71 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 18' ' ' LEU . 19.2 t -56.62 -47.73 79.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.504 ' ND2' ' CG ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -38.71 -35.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.5 ' O ' ' CD ' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -67.92 -35.15 77.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -71.96 -47.23 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -38.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.14 -36.98 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' B' ' 18' ' ' LEU . 3.6 tp10 -88.49 -150.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.95 -156.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -1.56 19.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 5' ' ' CYS . 6.5 m -49.31 -44.88 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.57 47.88 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -79.96 -76.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.031 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -103.54 -9.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.341 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 1.031 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -3.64 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.555 1.819 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.473 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -83.29 -82.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.621 ' CD1' ' O ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -35.0 -44.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' OH ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -41.84 -55.66 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -83.54 -37.15 23.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.652 ' C ' ' CG2' ' B' ' 37' ' ' VAL . . . -57.23 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 33' ' ' ALA . . . -32.36 -42.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.6 tptt -40.99 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' C ' ' B' ' 37' ' ' VAL . 16.1 m -84.73 -27.53 26.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.652 ' CG2' ' C ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER -20.01 -76.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.613 ' N ' ' CG1' ' B' ' 37' ' ' VAL . 0.0 OUTLIER -82.8 -64.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -91.19 80.56 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' B' ' 42' ' ' GLN . 1.3 pt20 -85.44 -170.11 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.523 ' C ' ' CG ' ' B' ' 42' ' ' GLN . . . 63.78 -31.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER 179.37 106.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.31 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' B' ' 46' ' ' PHE . 8.5 t-80 -71.65 41.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.606 ' O ' ' CZ ' ' B' ' 46' ' ' PHE . . . -27.85 -77.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.162 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 129.59 12.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' B' ' 43' ' ' HIS . 1.6 m-85 -114.5 163.48 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.778 ' O ' ' N ' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -68.5 -37.01 79.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -36.17 -38.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -67.69 -54.76 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 53' ' ' GLN . 1.1 tp -76.06 -33.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -34.65 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.3 tt0 -38.16 -57.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.874 ' CG1' ' N ' ' B' ' 55' ' ' ALA . 0.8 OUTLIER -88.77 -86.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.874 ' N ' ' CG1' ' B' ' 54' ' ' ILE . . . 165.75 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 1.3 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 173.13 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.685 ' O ' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -50.41 -56.2 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.765 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 9.4 mt -160.35 -55.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.765 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.98 163.4 90.8 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.978 -0.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.65 ' O ' ' C ' ' B' ' 61' ' ' VAL . 7.5 m-20 146.64 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.65 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.8 t -17.17 -66.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.765 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 73.9 m -103.95 -92.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.765 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 44.1 t30 113.92 21.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.416 ' C ' ' N ' ' B' ' 66' ' ' GLN . 0.9 OUTLIER -133.96 112.38 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -5.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -80.07 -26.52 39.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -98.41 -60.19 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.554 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 135.09 161.33 9.35 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.802 ' O ' ' CB ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -97.06 101.2 12.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.725 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.683 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.26 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.19 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.28 -39.64 62.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -42.8 -39.57 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' B' ' 25' ' ' CYS . 1.3 m -60.08 -74.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -37.83 -39.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.239 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -71.26 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' LYS . 7.0 mm-40 -38.14 -48.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.223 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.518 ' CE1' ' O ' ' B' ' 29' ' ' THR . 24.2 t80 -40.36 -66.6 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -78.86 -49.84 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.083 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -38.59 -37.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 8.7 mm-40 -76.53 -92.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.76 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 174.66 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.76 ' O ' ' O ' ' A' ' 13' ' ' GLN . 26.7 m170 -7.65 130.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.382 1.051 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.525 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -39.72 166.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 1.043 ' O ' ' N ' ' A' ' 19' ' ' GLN . 7.7 mtm180 -123.38 -72.05 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -29.3 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 20' ' ' GLN . 83.2 m -69.65 -25.84 64.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 1.043 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pt20 -31.48 -33.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -55.13 -73.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.575 ' CZ3' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -55.1 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.575 ' CG2' ' CZ3' ' A' ' 21' ' ' TRP . 2.6 pp -29.07 -43.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -81.62 -48.36 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.7 tp60 -46.06 -36.77 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.06 -38.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' ND1' ' B' ' 43' ' ' HIS . 10.8 mt -45.52 -51.49 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' GLN . 1.6 mp -70.63 -39.45 73.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -46.78 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 16.7 tt0 -56.24 -41.76 76.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 10' ' ' LEU . 37.2 tt0 -48.65 -38.2 20.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.08 -65.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.331 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' B' ' 18' ' ' LEU . 2.5 t -56.53 -47.83 78.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.467 ' ND2' ' CG ' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -39.29 -35.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.46 ' C ' ' CD ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -69.2 -42.1 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -82.67 -51.84 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.623 ' CE1' ' CE ' ' B' ' 64' ' ' MET . 0.2 OUTLIER -40.02 -41.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.9 OUTLIER -39.28 -37.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 20' ' ' GLN . 5.4 tp10 -60.12 -132.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' B' ' 23' ' ' GLN . 22.8 t0 -134.25 150.6 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.607 ' N ' ' OD1' ' B' ' 22' ' ' ASP . 3.6 mp0 -44.0 -24.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 22' ' ' ASP . 15.4 m -46.32 -38.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.616 ' O ' ' OG1' ' B' ' 29' ' ' THR . 1.8 m -104.3 59.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.337 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.607 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 2.1 t -82.67 -87.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.986 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.6 OUTLIER -90.95 -16.79 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.324 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.986 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -8.03 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.616 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -75.92 -60.59 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -64.49 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.6 OUTLIER -38.34 -35.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.377 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -43.65 80.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -73.95 -50.17 21.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 33' ' ' ALA . . . -39.19 -43.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.568 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 8.2 tttp -50.3 -41.8 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.569 ' N ' ' O ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER -82.56 -43.26 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' B' ' 38' ' ' ARG . 98.4 t -39.41 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.7 ttt180 -36.04 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.693 ' O ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -19.6 103.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 3.1 pt20 -0.4 -112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.4 -95.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.57 -0.95 44.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 110.229 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.595 ' ND1' ' CD2' ' A' ' 26' ' ' LEU . 3.3 t-160 -137.88 67.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -20.91 -65.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . 0.505 ' O ' ' O ' ' B' ' 43' ' ' HIS . 18.1 Cg_endo -74.93 155.16 43.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.94 138.92 39.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.488 ' O ' ' CG2' ' B' ' 51' ' ' ILE . 0.9 OUTLIER -171.74 41.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -56.86 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.947 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -37.54 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.2 OUTLIER -74.78 -72.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' B' ' 47' ' ' GLN . 2.4 tp -38.6 -45.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.65 -55.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' B' ' 54' ' ' ILE . 36.3 mt-30 -82.04 -42.3 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' B' ' 53' ' ' GLN . 1.1 mm -40.27 -82.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.553 ' CB ' ' NE1' ' A' ' 21' ' ' TRP . . . -88.21 -175.3 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 170.97 -11.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.664 ' O ' ' CG2' ' B' ' 61' ' ' VAL . 45.4 t30 -149.96 -38.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.703 ' N ' ' CA ' ' B' ' 59' ' ' PRO . 4.4 mt 161.89 -47.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.703 ' CA ' ' N ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.94 142.72 75.61 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.706 ' O ' ' C ' ' B' ' 61' ' ' VAL . 4.7 m-20 160.52 -62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.706 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.4 t 0.8 -80.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.608 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 0.5 OUTLIER -100.86 -57.69 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 9.3 t-20 90.63 20.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.623 ' CE ' ' CE1' ' B' ' 19' ' ' TYR . 21.6 mtm -117.44 92.16 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -68.51 1.22 3.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -74.64 -52.57 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -83.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.416 ' CA ' ' CG1' ' B' ' 26' ' ' VAL . . . 177.22 145.22 5.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' B' ' 56' ' ' LYS . 1.0 OUTLIER -128.64 144.01 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.691 ' O ' ' CB ' ' B' ' 30' ' ' LEU . 38.0 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 108.365 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.25 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -40.6 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -56.52 -41.32 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -45.6 94.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.154 . . . . 0.0 108.361 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -63.03 -48.91 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.369 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER -62.94 -53.52 52.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 4' ' ' LYS . 17.7 mt-10 -39.52 -47.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -65.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -61.39 -39.31 90.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -38.13 -42.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.59 -93.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.7 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 176.41 64.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.7 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 3.8 80.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.601 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -33.79 155.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.7 mtt180 -80.59 -52.89 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.79 -28.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.509 ' O ' ' N ' ' A' ' 21' ' ' TRP . 4.0 m -76.1 -39.96 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 108.283 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.6 mt-30 -43.65 -43.3 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -62.0 -32.78 73.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.64 ' CD1' ' CG2' ' B' ' 61' ' ' VAL . 1.6 t90 -36.1 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.688 ' CG2' ' CG1' ' B' ' 37' ' ' VAL . 0.0 OUTLIER -78.14 -52.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.639 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 66.6 ttt-85 -38.05 -51.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 8.8 tm0? -53.15 -43.43 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.218 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.73 -52.87 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' ILE . 6.1 mt -39.67 -47.06 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -45.2 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -42.11 25.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 16' ' ' ASN . 17.7 mt-10 -48.23 -39.8 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' B' ' 17' ' ' GLU . 84.7 mt-30 -49.32 -58.82 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . 0.566 ' O ' ' CD2' ' B' ' 18' ' ' LEU . 0.5 OUTLIER -52.61 -45.38 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.92 -40.47 88.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -70.07 -38.43 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 13' ' ' GLN . 11.0 mm-40 -62.4 -52.74 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.566 ' CD2' ' O ' ' B' ' 14' ' ' CYS . 0.6 OUTLIER -63.1 -42.52 99.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -42.28 63.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -77.3 -30.74 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.82 -150.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -123.55 121.27 35.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' B' ' 26' ' ' VAL . 1.2 pp0? -48.52 -13.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' SG ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -34.48 -41.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.784 ' O ' ' OG1' ' B' ' 29' ' ' THR . 24.1 m -120.77 55.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 108.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.616 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 1.2 t -97.11 -67.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.824 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -76.27 -32.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.824 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.1 Cg_endo -74.99 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.784 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -86.17 -68.92 0.7 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.621 ' O ' ' N ' ' B' ' 34' ' ' ALA . 0.0 OUTLIER -29.75 -52.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -44.04 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' B' ' 29' ' ' THR . 0.0 OUTLIER -78.29 -62.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.807 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -47.4 -48.03 26.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -44.2 -53.14 6.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.693 ' CE ' ' CE2' ' B' ' 46' ' ' PHE . 4.7 tptt -59.06 -67.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 37' ' ' VAL . 31.1 t -54.16 -37.36 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.807 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.5 t -35.83 -92.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.789 ' O ' ' O ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -103.83 -78.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.789 ' O ' ' O ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER 7.49 116.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -115.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.469 ' C ' ' N ' ' B' ' 43' ' ' HIS . . . -67.96 -84.49 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -9.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.469 ' N ' ' C ' ' B' ' 41' ' ' GLY . 21.4 t60 -133.73 57.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.822 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -78.62 -28.05 55.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.1 Cg_endo -74.95 128.44 11.52 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.572 1.827 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.693 ' CE2' ' CE ' ' B' ' 35' ' ' LYS . 3.0 m-85 -97.67 142.53 29.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.0 6.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.721 ' O ' ' N ' ' B' ' 52' ' ' TYR . 68.7 m -82.45 -37.47 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -68.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.6 OUTLIER -52.96 -34.41 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -32.35 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -39.15 -35.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 1.215 ' O ' ' O ' ' B' ' 55' ' ' ALA . 3.0 mt -80.77 -38.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 1.215 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 10.43 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER 170.51 131.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.691 ' C ' ' O ' ' B' ' 56' ' ' LYS . 0.1 OUTLIER -8.44 -54.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.84 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 0.4 OUTLIER -171.35 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.84 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 156.41 99.86 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.902 -2.541 . . . . 0.0 110.974 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.703 ' O ' ' C ' ' B' ' 61' ' ' VAL . 6.5 m-20 154.97 -85.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.07 . . . . 0.0 109.333 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.703 ' C ' ' O ' ' B' ' 60' ' ' ASN . 45.1 t 8.86 -101.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.52 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 1.5 m -113.75 -45.97 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' B' ' 65' ' ' LYS . 18.5 m-20 82.99 21.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.505 ' O ' ' O ' ' B' ' 68' ' ' GLY . 8.5 mmt -51.19 80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' B' ' 63' ' ' ASN . 3.0 ttpt -71.84 -1.12 13.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.06 -36.63 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.575 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.8 OUTLIER -93.77 -61.52 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.575 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . -176.55 -179.7 47.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.517 ' O ' ' C ' ' B' ' 70' ' ' CYS . 5.1 t -102.0 -125.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' B' ' 69' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . 0.401 ' CD ' ' N ' ' A' ' 1' ' ' GLN . 2.8 mp0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.82 11.76 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.53 -42.09 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -37.79 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.7 t -49.72 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -53.15 18.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.516 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 17.0 mmm-85 -40.17 -42.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.692 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -64.94 -80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.449 ' CZ ' ' CB ' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -38.19 -32.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 111.031 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.565 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -82.14 -40.39 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 8' ' ' GLU . 7.6 mm100 -82.46 -37.3 25.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.692 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -46.48 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 179.11 50.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 1.31 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -40.61 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.783 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.4 ttt-85 -113.25 -40.27 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.04 -35.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.639 ' O ' ' N ' ' A' ' 20' ' ' GLN . 81.4 m -81.73 -33.01 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.248 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.783 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 tm0? -33.29 -28.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.91 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.986 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -72.55 -60.79 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.778 ' CG2' ' CA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -22.02 -51.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -82.84 -52.75 6.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' TRP . 34.1 tt0 -49.84 -47.8 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.3 tm0? -46.86 -58.66 3.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' B' ' 34' ' ' ALA . 19.0 mt -46.5 -49.07 18.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 m95 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -41.75 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' B' ' 14' ' ' CYS . 1.2 ptp180 -40.67 -44.62 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -41.11 -44.05 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.34 -40.99 27.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' B' ' 11' ' ' ARG . 0.5 OUTLIER -53.01 -47.61 68.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.587 ' O ' ' N ' ' B' ' 18' ' ' LEU . 50.5 t -68.53 -60.62 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -40.12 -39.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.12 83.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -79.11 -43.8 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -62.25 -51.87 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 19' ' ' TYR . 4.7 mt-30 -38.52 -38.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' OE2' ' A' ' 8' ' ' GLU . 6.0 tp10 -82.07 -142.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.496 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -113.87 120.21 39.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' B' ' 25' ' ' CYS . 4.5 pp0? -45.88 -16.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.496 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -37.21 -31.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' B' ' 23' ' ' GLN . 70.9 m -78.06 38.55 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 108.248 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 2.3 t -37.03 -85.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.049 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -126.33 4.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 1.049 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -10.84 21.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.47 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -83.22 -74.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.734 ' CD2' ' O ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -35.45 -38.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.58 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 13.7 mttt -40.81 -61.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -38.34 21.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.664 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -50.96 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -51.87 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.498 ' O ' ' C ' ' B' ' 37' ' ' VAL . 0.5 OUTLIER -85.87 -39.74 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.1 t -31.77 -84.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.584 ' N ' ' CG1' ' B' ' 37' ' ' VAL . 0.0 OUTLIER -92.83 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.628 ' CG2' ' CG ' ' B' ' 43' ' ' HIS . 6.3 m -63.55 179.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.38 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.78 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.61 1.194 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -6.3 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.628 ' CG ' ' CG2' ' B' ' 39' ' ' VAL . 0.2 OUTLIER -104.44 47.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -64.46 -44.27 95.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.6 Cg_endo -74.91 128.86 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.47 ' C ' ' N ' ' B' ' 48' ' ' SER . 3.9 m-85 -100.72 20.44 15.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.9 -14.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.712 ' O ' ' N ' ' B' ' 52' ' ' TYR . 3.2 m -75.52 -35.69 60.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.466 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 0.3 OUTLIER -33.89 -38.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' B' ' 48' ' ' SER . 8.4 ttt180 -80.11 -59.7 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -59.86 -42.31 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.2 OUTLIER -31.77 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.5 tm0? -38.22 -36.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' B' ' 55' ' ' ALA . 11.3 pt -62.98 -59.04 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 1.069 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 14.18 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.986 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 167.93 114.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.959 ' O ' ' CZ3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -35.01 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.763 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 2.7 mt -161.03 -55.16 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.763 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -75.08 164.26 88.77 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.995 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.676 ' O ' ' C ' ' B' ' 61' ' ' VAL . 2.7 m-20 159.41 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.676 ' C ' ' O ' ' B' ' 60' ' ' ASN . 7.8 p 9.48 -124.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 0.5 OUTLIER -68.85 -91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER 146.61 56.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.593 ' CG ' ' O ' ' B' ' 64' ' ' MET . 11.1 ptp -140.72 108.05 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -0.44 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -76.85 -26.65 54.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -100.72 -61.56 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 133.36 158.38 8.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.512 ' C ' ' SG ' ' B' ' 70' ' ' CYS . 0.1 OUTLIER -107.47 119.02 38.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.654 ' CB ' ' CG ' ' B' ' 30' ' ' LEU . 1.5 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 129.14 12.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.1 tt0 -75.05 -53.66 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -45.24 -42.18 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.54 -60.93 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.604 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -64.63 -57.72 8.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.02 -63.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' ARG . 22.7 mt-10 -36.82 -36.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.885 ' CE2' ' CE1' ' A' ' 14' ' ' HIS . 8.8 t80 -53.56 -70.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.9 tt0 -73.45 -38.96 65.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -36.84 -42.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.62 -93.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 1.002 ' O ' ' O ' ' A' ' 14' ' ' HIS . 1.8 mt-30 178.93 73.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 1.002 ' O ' ' O ' ' A' ' 13' ' ' GLN . 9.9 m170 -4.0 139.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.596 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.96 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 19' ' ' GLN . 2.4 mtt180 -116.5 -64.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.03 -35.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.79 -39.88 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -48.26 -32.89 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -39.77 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.869 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -53.19 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.011 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.581 ' N ' ' CD2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -30.26 -48.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -88.21 -64.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.8 tp60 -39.85 -36.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.565 ' N ' ' O ' ' A' ' 21' ' ' TRP . 4.7 tm0? -35.38 -39.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD2' ' ND1' ' B' ' 43' ' ' HIS . 4.3 mt -56.41 -50.74 70.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -40.9 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -53.69 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 16' ' ' ASN . 14.5 mt-10 -40.78 -42.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -45.89 -48.4 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -51.23 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.585 1.178 . . . . 0.0 108.265 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.708 ' O ' ' N ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -67.68 -61.17 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.516 ' N ' ' SG ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -37.38 -35.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' C ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -79.76 -38.77 32.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.66 ' CD2' ' O ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -83.63 -53.29 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.708 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -33.58 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 18' ' ' LEU . 1.1 mm-40 -54.06 -36.87 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.637 ' N ' ' O ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -81.05 -151.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.551 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.02 113.76 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.428 ' CD ' ' N ' ' B' ' 23' ' ' GLN . 0.0 OUTLIER -50.09 -6.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.551 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -39.31 -42.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.762 ' O ' ' CG2' ' B' ' 29' ' ' THR . 18.4 m -131.57 3.32 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.571 ' C ' ' OG1' ' B' ' 29' ' ' THR . 26.7 t -84.28 -24.11 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.645 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.8 OUTLIER -86.84 -45.12 0.54 Allowed Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 108.29 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.1 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.762 ' CG2' ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -65.19 -38.19 89.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -48.34 -52.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.6 -38.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -43.4 78.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -57.97 -38.65 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 38' ' ' ARG . . . -64.97 -39.27 93.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -37.75 -58.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.0 m -69.61 -51.21 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.653 ' O ' ' C ' ' B' ' 38' ' ' ARG . 29.1 t -53.73 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.693 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -13.02 -73.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.693 ' C ' ' O ' ' B' ' 38' ' ' ARG . 54.1 t 0.9 81.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 2.6 tt0 0.65 -109.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 45.01 -94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -83.28 -4.46 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.659 ' N ' ' O ' ' B' ' 40' ' ' GLN . 5.8 t-160 -118.18 54.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.623 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.634 ' O ' ' CE1' ' B' ' 46' ' ' PHE . . . -32.46 -55.99 0.45 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.3 Cg_endo -74.89 150.62 38.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' B' ' 44' ' ' GLY . 1.0 OUTLIER -115.92 139.57 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.55 ' O ' ' CG2' ' B' ' 51' ' ' ILE . 0.1 OUTLIER -174.73 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.683 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.7 OUTLIER -55.54 -56.89 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -38.72 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' B' ' 53' ' ' GLN . 0.4 OUTLIER -81.18 -72.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.55 ' CG2' ' O ' ' B' ' 47' ' ' GLN . 1.2 tp -36.44 -36.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' B' ' 48' ' ' SER . 3.4 m-30 -63.16 -52.68 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 50' ' ' ARG . 3.2 tm0? -81.42 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.498 ' CG1' ' CA ' ' B' ' 51' ' ' ILE . 2.0 pp -36.08 -69.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 54' ' ' ILE . . . -60.27 174.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 -100.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' B' ' 58' ' ' LEU . 2.0 t-20 -53.73 -45.36 70.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.869 ' CD2' ' CE3' ' A' ' 21' ' ' TRP . 1.9 mt 174.4 -52.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.723 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 150.88 96.18 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.992 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.717 ' O ' ' C ' ' B' ' 61' ' ' VAL . 1.0 OUTLIER 155.11 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.717 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.0 t 2.5 -82.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.223 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.636 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 0.1 OUTLIER -92.6 -90.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 108.32 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 16.6 m-20 144.75 46.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -135.29 90.28 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.84 -3.15 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' B' ' 67' ' ' ILE . 1.7 pt20 -70.92 -41.11 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -122.31 -58.05 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 109.76 144.28 10.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.466 ' CG2' ' CD2' ' B' ' 18' ' ' LEU . 36.2 m -135.57 91.39 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.66 ' O ' ' CD2' ' B' ' 18' ' ' LEU . 1.9 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.367 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . 0.448 ' N ' ' OE1' ' A' ' 1' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . 0.488 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.96 129.25 12.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.68 -43.78 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.9 mttt -56.83 -39.82 74.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' B' ' 24' ' ' VAL . 1.5 m -56.94 -66.78 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -38.28 -39.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 11' ' ' GLN . 2.3 mtt180 -75.39 -64.25 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -39.09 -39.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -45.67 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -40.16 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 110.245 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.1 mp0 -51.51 -36.4 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 6.0 mm-40 -74.32 -90.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.697 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 173.96 72.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.225 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.697 ' C ' ' O ' ' A' ' 13' ' ' GLN . 21.3 m170 -7.18 120.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 109.547 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.08 174.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' GLN . 69.6 mtm-85 -119.05 -72.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' C ' ' N ' ' A' ' 19' ' ' GLN . . . -34.75 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.602 ' O ' ' N ' ' A' ' 21' ' ' TRP . 50.7 m -42.04 -25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 3.8 mm-40 -35.58 -50.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.7 mt-30 -57.72 -39.52 77.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.927 ' CH2' ' O ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER -41.45 -67.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.573 ' C ' ' CD1' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -77.71 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 3.6 ttt180 -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLN . 5.9 tt0 -54.76 -41.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -48.99 -55.26 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.12 -42.59 95.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.78 -49.94 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.484 ' CZ ' ' OE1' ' B' ' 12' ' ' GLU . 21.7 ptt85 -52.87 -43.88 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 16' ' ' ASN . 0.3 OUTLIER -71.92 -40.58 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' B' ' 17' ' ' GLU . 1.5 mm100 -47.86 -55.07 10.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -48.46 74.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.22 -38.89 77.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -71.09 -37.68 72.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 13' ' ' GLN . 0.0 OUTLIER -56.67 -39.01 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.592 ' CD1' ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -39.22 44.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.457 ' OH ' ' SD ' ' B' ' 64' ' ' MET . 0.3 OUTLIER -58.64 -71.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -39.63 -35.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' B' ' 20' ' ' GLN . 0.6 OUTLIER -60.4 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.495 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -115.12 116.89 29.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -47.05 -15.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.495 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -36.97 -31.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' B' ' 26' ' ' VAL . 81.8 m -96.87 55.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 2.4 t -33.53 -83.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 0.949 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -138.86 22.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 0.949 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.3 Cg_endo -74.99 -25.64 11.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.457 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.3 OUTLIER -67.01 -74.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.569 ' N ' ' CD2' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -36.0 -39.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.514 ' CE ' ' O ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -38.49 -55.22 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -48.57 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.32 -49.61 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -74.81 -41.19 60.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 13.8 tptm -39.06 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.7 m -80.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.601 ' O ' ' O ' ' B' ' 38' ' ' ARG . 2.3 t -50.82 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.692 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.1 mmt180 -23.02 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.692 ' C ' ' O ' ' B' ' 38' ' ' ARG . 2.5 m -7.34 109.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' B' ' 39' ' ' VAL . 12.0 tm0? -34.28 150.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.1 -43.5 0.63 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -125.53 -3.83 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.784 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 38.5 t60 -149.9 59.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.557 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . 33.93 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.75 42.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.55 1.816 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . 0.784 ' CE2' ' CD2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -156.28 145.9 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 41.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.699 ' O ' ' N ' ' B' ' 52' ' ' TYR . 76.0 p -67.64 -53.2 29.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.477 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -32.38 -37.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -82.99 -72.36 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 tp -51.06 -38.83 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' B' ' 48' ' ' SER . 19.8 t80 -40.59 -33.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 52' ' ' TYR . 2.9 tm0? -35.69 -72.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.599 ' C ' ' CD1' ' B' ' 54' ' ' ILE . 0.0 OUTLIER -80.35 -77.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.575 ' N ' ' CG2' ' B' ' 54' ' ' ILE . . . -178.37 -147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.927 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -178.63 86.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.711 ' O ' ' CD2' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -35.68 -56.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.765 ' CD2' ' O ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER 172.05 -53.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.738 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.1 Cg_endo -75.12 160.41 96.49 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.932 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.713 ' O ' ' C ' ' B' ' 61' ' ' VAL . 1.5 m120 160.64 -68.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.713 ' C ' ' O ' ' B' ' 60' ' ' ASN . 58.0 t 0.35 -106.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.568 ' SG ' ' CG1' ' B' ' 61' ' ' VAL . 0.1 OUTLIER -122.74 7.6 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.457 ' CG ' ' C ' ' B' ' 62' ' ' CYS . 0.1 OUTLIER 44.21 38.64 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.535 ' CG ' ' SG ' ' B' ' 62' ' ' CYS . 0.3 OUTLIER -66.84 81.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 12.7 tttm -72.65 -1.78 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.68 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -83.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.91 33.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.674 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.5 OUTLIER -81.76 -169.81 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.433 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.832 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 1.3 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 130.68 13.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . 0.575 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.47 -33.43 64.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.0 mtmm -36.56 -51.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -63.45 -76.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -36.79 -38.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 ttt-85 -78.52 -46.68 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -40.53 -40.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 110.231 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' GLU . 3.1 t80 -34.83 -68.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.18 -36.54 20.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -50.94 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.553 ' CD ' ' O ' ' A' ' 8' ' ' GLU . 1.1 pt-20 -73.66 -87.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.5 mt-30 171.99 72.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.688 ' C ' ' O ' ' A' ' 13' ' ' GLN . 20.1 m170 10.17 87.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -27.11 148.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.753 ' O ' ' N ' ' A' ' 19' ' ' GLN . 21.3 mtt-85 -103.23 -52.02 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.38 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.649 ' O ' ' N ' ' A' ' 21' ' ' TRP . 63.5 m -58.45 -27.68 64.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -35.88 -39.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -37.57 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 1.038 ' CE3' ' O ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.39 -51.7 61.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.98 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 pp -75.76 -57.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -37.25 -57.48 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.51 -36.65 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -49.88 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' CD ' ' B' ' 38' ' ' ARG . 3.8 mt -49.12 -48.35 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.71 -40.78 61.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -55.21 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' B' ' 16' ' ' ASN . 47.0 mt-10 -49.39 -41.09 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -53.4 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -52.72 -38.47 60.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.745 ' O ' ' N ' ' B' ' 20' ' ' GLN . 0.8 OUTLIER -55.75 -36.17 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -48.73 -47.25 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.59 ' CD1' ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.83 -42.52 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' B' ' 20' ' ' GLN . 0.2 OUTLIER -69.36 -35.23 75.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' B' ' 16' ' ' ASN . 1.2 mt-30 -37.3 -40.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . 0.486 ' CB ' ' SG ' ' B' ' 25' ' ' CYS . 3.1 tp10 -101.72 -146.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.79 -154.23 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -48.28 -22.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.57 ' CG2' ' N ' ' B' ' 25' ' ' CYS . 1.0 OUTLIER -47.47 -54.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.57 ' N ' ' CG2' ' B' ' 24' ' ' VAL . 1.3 p -127.2 39.66 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.688 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -63.89 -77.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.06 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -120.54 1.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 108.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 1.06 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -75.06 -13.19 21.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -72.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -40.79 -38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' B' ' 52' ' ' TYR . 21.6 mtpt -39.21 -67.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -73.41 -46.46 48.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' B' ' 32' ' ' GLN . . . -39.31 -44.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' B' ' 35' ' ' LYS . . . -72.39 -36.37 68.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' B' ' 32' ' ' GLN . 0.1 OUTLIER -33.76 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 30.5 m -59.6 -37.88 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' B' ' 38' ' ' ARG . 0.5 OUTLIER -36.19 -69.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.807 ' O ' ' N ' ' B' ' 40' ' ' GLN . 6.1 mmp_? -95.75 -103.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.685 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.1 m 12.11 51.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' B' ' 38' ' ' ARG . 15.9 tm0? 175.68 156.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.478 ' C ' ' N ' ' B' ' 43' ' ' HIS . . . 64.67 -140.05 42.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -7.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.707 ' C ' ' CD ' ' B' ' 45' ' ' PRO . 27.8 t60 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.615 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.979 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -82.09 -10.0 84.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . 0.979 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.05 129.43 12.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -94.49 154.29 17.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.23 -23.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.661 ' OG ' ' CE1' ' B' ' 52' ' ' TYR . 1.4 p -38.78 -35.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.79 -53.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -62.92 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.897 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -41.35 -35.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.661 ' CE1' ' OG ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -32.64 -46.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.15 -39.7 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 1.073 ' O ' ' O ' ' B' ' 55' ' ' ALA . 4.8 mm -77.57 -45.28 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 1.073 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 12.16 -155.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.268 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.658 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 168.78 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.777 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -25.27 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.846 ' CD2' ' O ' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -158.21 -54.77 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.758 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 160.57 96.35 Favored 'Cis proline' 0 C--N 1.359 1.099 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.0 0.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.612 ' O ' ' C ' ' B' ' 61' ' ' VAL . 1.3 m120 151.61 -59.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.614 ' CG2' ' CD1' ' A' ' 21' ' ' TRP . 3.2 t -22.61 -86.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.511 ' N ' ' CG1' ' B' ' 61' ' ' VAL . 80.5 m -115.32 -32.42 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' B' ' 60' ' ' ASN . 32.9 m-20 64.87 30.72 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 28.5 mtm -114.62 94.1 4.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 4.49 20.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -63.31 -26.0 68.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.58 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -116.71 -60.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.58 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 175.63 149.32 7.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 1.4 t -143.49 123.54 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.872 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 61.2 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 108.348 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 129.19 12.17 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.32 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLU . 7.3 mmtt -42.88 -40.48 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -45.2 16.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 3.9 ttt85 -61.44 -59.25 5.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 4' ' ' LYS . 4.7 mm-40 -40.34 -48.4 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -46.79 -61.86 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.1 tt0 -68.28 -37.07 80.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -36.56 -38.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.173 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -92.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER 176.88 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 24.0 m170 1.3 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.2 161.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.617 ' O ' ' N ' ' A' ' 19' ' ' GLN . 34.1 mtm180 -109.93 -44.05 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.16 -36.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' CYS . . . . . 0.448 ' SG ' ' CG2' ' B' ' 61' ' ' VAL . 99.4 m -84.04 -38.95 20.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.3 pt20 -36.1 -37.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.66 -53.48 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . 0.801 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -81.38 -51.2 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 108.038 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ILE . . . . . 0.552 ' CG2' ' N ' ' B' ' 34' ' ' ALA . 11.4 mt -35.37 -47.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.73 -56.87 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -45.51 -39.85 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -39.81 -50.28 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.57 -47.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -40.54 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -58.03 -65.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -47.37 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -47.37 -45.96 25.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.209 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -52.15 23.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 108.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' CYS . . . . . 0.53 ' SG ' ' CD1' ' B' ' 19' ' ' TYR . 1.3 t -62.91 -56.74 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 1.191 . . . . 0.0 108.358 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -39.36 -36.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLU . . . . . 0.46 ' O ' ' OE1' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -50.6 -47.48 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' LEU . . . . . 0.465 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.1 OUTLIER -83.84 -39.5 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' SG ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -55.95 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.39 -33.78 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -143.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.86 100.06 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' GLN . . . . . 0.68 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -51.74 -0.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . 0.592 ' C ' ' O ' ' B' ' 23' ' ' GLN . 0.3 OUTLIER -24.03 -41.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' CYS . . . . . 0.949 ' O ' ' CG2' ' B' ' 26' ' ' VAL . 0.3 OUTLIER -47.51 -94.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' VAL . . . . . 0.949 ' CG2' ' O ' ' B' ' 25' ' ' CYS . 2.8 t 160.86 -91.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' CYS . . . . . 1.023 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -164.25 5.03 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' THR . . . . . 0.432 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.2 OUTLIER -54.34 -41.05 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.359 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -37.75 -62.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' B' ' 35' ' ' LYS . 19.9 mttt -46.59 -55.99 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -36.02 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -52.23 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' ALA . . . . . 0.552 ' N ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.23 -39.13 92.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -47.34 -52.27 16.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 93.6 p -85.34 -49.68 7.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' VAL . . . . . 0.599 ' CG1' ' N ' ' B' ' 38' ' ' ARG . 2.3 t -37.24 -87.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ARG . . . . . 0.718 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.1 OUTLIER -96.19 -104.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.233 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . 0.718 ' C ' ' O ' ' B' ' 38' ' ' ARG . 0.6 OUTLIER 2.68 105.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 43' ' ' HIS . 26.3 tt0 178.16 160.32 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.25 -103.77 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -7.69 24.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 0.756 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 40' ' ' GLN . 4.9 t60 -143.21 55.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . -54.23 -117.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.582 1.176 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.37 12.24 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.519 1.8 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -122.11 175.65 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' GLN . . . . . 0.571 ' O ' ' CG2' ' B' ' 51' ' ' ILE . 53.9 mm-40 -78.23 7.35 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' SER . . . . . 0.555 ' O ' ' CG ' ' B' ' 52' ' ' TYR . 0.1 OUTLIER -65.39 -33.61 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' THR . . . . . 0.415 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.7 OUTLIER -36.55 -47.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -82.92 -72.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ILE . . . . . 0.664 ' O ' ' CG1' ' B' ' 54' ' ' ILE . 0.0 OUTLIER -37.0 -37.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' B' ' 48' ' ' SER . 0.2 OUTLIER -35.37 -53.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 54' ' ' ILE . 0.8 OUTLIER -38.26 -35.85 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' ILE . . . . . 0.664 ' CG1' ' O ' ' B' ' 51' ' ' ILE . 2.0 pp -36.8 -70.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ALA . . . . . 0.459 ' CB ' ' NE1' ' A' ' 21' ' ' TRP . . . -68.72 -165.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER 179.76 -87.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ASN . . . . . 0.67 ' N ' ' OG1' ' B' ' 69' ' ' THR . 0.0 OUTLIER -66.65 -41.32 88.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' LEU . . . . . 0.801 ' CD2' ' CE3' ' A' ' 21' ' ' TRP . 3.0 mt 169.78 -51.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' PRO . . . . . 0.688 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -74.95 152.87 98.76 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.987 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' ASN . . . . . 0.667 ' O ' ' C ' ' B' ' 61' ' ' VAL . 6.7 m-20 153.32 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' VAL . . . . . 0.667 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.8 t -14.77 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' CYS . . . . . 0.493 ' N ' ' CG1' ' B' ' 61' ' ' VAL . 89.5 m -82.37 -74.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 77.2 22.21 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' MET . . . . . 0.467 ' C ' ' N ' ' B' ' 66' ' ' GLN . 20.3 mtm -100.26 92.66 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -59.38 -2.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' B' ' 64' ' ' MET . 0.7 OUTLIER -79.72 -49.68 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' ILE . . . . . 0.605 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.1 OUTLIER -99.42 -61.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 143.43 177.86 18.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.604 1.19 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' THR . . . . . 0.67 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -100.96 162.01 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 26' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.485 ' CG ' ' O ' ' A' ' 1' ' ' GLN . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 129.25 12.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -39.95 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 8' ' ' GLU . 2.6 mttm -56.66 -40.85 76.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -56.87 -68.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -38.0 51.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.547 ' O ' ' N ' ' A' ' 11' ' ' GLN . 12.3 mmt85 -64.75 -71.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -37.19 -41.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -52.45 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -77.38 -48.1 18.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.547 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 10.1 mm-40 -75.92 -91.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.706 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 174.2 71.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.706 ' C ' ' O ' ' A' ' 13' ' ' GLN . 28.0 m170 -5.32 113.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.451 1.095 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.34 162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 19' ' ' GLN . 33.4 mtt85 -114.96 -46.37 2.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.09 -29.17 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.494 ' O ' ' N ' ' A' ' 20' ' ' GLN . 4.5 m -79.09 -30.99 44.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 108.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.605 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.8 OUTLIER -35.08 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.497 ' O ' ' N ' ' A' ' 24' ' ' GLN . 2.1 mt-30 -59.13 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.894 ' CE2' ' O ' ' B' ' 56' ' ' LYS . 0.1 OUTLIER -53.09 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.529 ' C ' ' O ' ' A' ' 21' ' ' TRP . 1.2 pp -30.09 -45.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 65.4 ttt-85 -84.69 -69.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.497 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.3 tm0? -40.37 -40.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.6 tp60 -39.26 -38.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.582 ' CD2' ' CZ ' ' B' ' 46' ' ' PHE . 27.3 mt -39.7 -48.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.16 166.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.82 48.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.8 p -174.12 88.44 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 0.735 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 134.72 18.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' B' ' 1' ' ' GLN . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -65.66 148.13 52.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.91 64.2 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 134.82 18.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -165.05 152.64 11.23 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.4 84.49 0.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.2 42.35 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.48 29.67 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.412 ' O ' ' N ' ' B' ' 13' ' ' GLN . 10.3 mp -79.16 -44.89 21.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.417 ' NE ' ' OD1' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -38.82 -41.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.566 ' O ' ' N ' ' B' ' 16' ' ' ASN . 36.5 mt-10 -42.96 -43.46 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' B' ' 10' ' ' LEU . 1.0 OUTLIER -43.57 -39.68 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -61.21 -55.28 33.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.328 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.634 ' O ' ' N ' ' B' ' 19' ' ' TYR . 4.8 t -64.43 -46.52 82.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.566 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -38.5 -38.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 45.4 mm-40 -64.26 -47.19 80.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' B' ' 15' ' ' CYS . 1.5 pp -81.57 -47.41 13.1 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.634 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -53.94 -54.51 37.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.424 ' CB ' ' O ' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -38.57 -37.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' CG ' ' B' ' 22' ' ' ASP . 0.0 OUTLIER -90.95 -150.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -98.36 120.78 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.458 ' C ' ' N ' ' B' ' 25' ' ' CYS . 0.3 OUTLIER -41.6 -20.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -40.92 -28.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.654 ' O ' ' OG1' ' B' ' 29' ' ' THR . 37.5 m -113.91 66.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 108.219 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.743 ' O ' ' CD2' ' B' ' 30' ' ' LEU . 2.2 t -104.01 -85.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.864 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 38.9 t -66.17 -29.13 2.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.864 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -9.89 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.654 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -83.67 -36.29 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.906 ' N ' ' CD2' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.42 -47.15 13.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.8 mtmt -38.01 -57.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -54.27 -35.31 62.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.625 ' CB ' ' C ' ' B' ' 72' ' ' PHE . . . -57.74 -59.08 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.54 ' CB ' ' CE1' ' B' ' 52' ' ' TYR . . . -41.02 -39.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -41.25 -46.78 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.551 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 48.8 m -78.76 -49.7 12.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.573 ' O ' ' C ' ' B' ' 38' ' ' ARG . 86.4 t -44.33 -79.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.701 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.8 OUTLIER -23.51 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.701 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 m 2.09 99.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.605 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -19.0 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 55.82 -82.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.397 1.061 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.1 mp0 -109.94 -2.43 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' B' ' 46' ' ' PHE . 7.6 t60 -139.63 64.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -23.86 -91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.88 42.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.615 1.85 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.694 ' CD1' ' CD2' ' B' ' 43' ' ' HIS . 0.5 OUTLIER -174.57 -178.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.507 ' O ' ' N ' ' B' ' 51' ' ' ILE . 23.7 mt-30 -126.52 56.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.452 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -38.92 -37.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.077 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -49.98 61.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -78.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.507 ' N ' ' O ' ' B' ' 47' ' ' GLN . 3.5 tp -37.84 -34.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.54 ' CE1' ' CB ' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -53.73 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.508 ' O ' ' C ' ' B' ' 54' ' ' ILE . 5.4 tm0? -59.11 -67.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 1.135 ' O ' ' O ' ' B' ' 55' ' ' ALA . 2.2 pp -32.27 -70.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 6.96 -153.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.894 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 163.29 121.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.77 ' O ' ' CZ3' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -20.76 -46.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.774 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 6.3 mt -158.78 -55.59 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.774 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 162.15 93.42 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.989 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.774 ' O ' ' N ' ' B' ' 62' ' ' CYS . 7.5 m-20 151.34 -59.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.708 ' C ' ' O ' ' B' ' 60' ' ' ASN . 78.4 t -4.82 -61.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.774 ' N ' ' O ' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -129.93 -80.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.732 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 24.7 t30 131.36 44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.455 ' SD ' ' OH ' ' B' ' 19' ' ' TYR . 2.5 ptp -143.66 99.46 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -76.76 -3.01 35.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -14.54 52.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.497 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -96.29 -58.0 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.497 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 148.25 162.23 10.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.517 ' O ' ' SG ' ' B' ' 27' ' ' CYS . 0.5 OUTLIER -158.82 155.15 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.66 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 10.2 m -168.79 175.52 1.72 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.709 ' O ' ' O ' ' B' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 127.3 10.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.791 ' CG ' ' CD1' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -97.3 -161.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . . . . . . . . . 7.3 tp -165.75 169.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -130.08 175.36 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -75.06 128.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -39.4 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.482 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.35 -40.43 94.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.63 -60.98 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 108.246 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -52.47 -43.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' GLU . 7.1 ttp180 -64.01 -57.02 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.482 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.3 mm-40 -38.3 -42.66 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.842 ' CE1' ' CG ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -44.71 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.8 tt0 -76.34 -38.39 55.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.711 ' OE1' ' C ' ' B' ' 75' ' ' ILE . 0.0 OUTLIER -37.25 -42.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.0 -92.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.703 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 177.43 69.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.842 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 19.3 m170 1.13 107.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.606 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -39.52 171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.4 ' O ' ' C ' ' A' ' 17' ' ' ALA . 12.8 mtp85 -113.52 -53.75 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -40.58 -48.19 2.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.696 ' SG ' ' CE2' ' B' ' 72' ' ' PHE . 84.6 m -82.15 -39.99 22.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.568 ' O ' ' N ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -47.17 -34.52 6.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.658 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -35.56 -74.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -59.04 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.063 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.555 ' N ' ' CD2' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -31.97 -47.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.568 ' N ' ' O ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -87.04 -70.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.658 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -37.01 -34.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.563 ' N ' ' O ' ' A' ' 21' ' ' TRP . 2.8 mm-40 -33.73 -40.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.557 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.48 -60.4 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -154.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.7 -55.64 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.42 1.075 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 167.58 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.53 15.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -73.98 109.2 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.43 -84.14 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.46 36.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -137.16 71.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -73.04 90.56 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.24 89.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.486 ' O ' ' CD1' ' B' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 138.83 23.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' B' ' 8' ' ' PRO . 28.2 m0 -142.3 45.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.41 -39.98 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.419 ' O ' ' N ' ' B' ' 16' ' ' ASN . 0.5 OUTLIER -45.18 -40.67 7.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.221 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -50.44 -44.93 55.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.657 ' O ' ' CE2' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -51.53 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 108.216 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -54.19 -51.74 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.419 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -40.18 -36.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.508 ' OE2' ' O ' ' B' ' 73' ' ' ILE . 0.0 OUTLIER -72.24 -38.75 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.214 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.788 ' CB ' ' CD1' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -66.69 -49.69 65.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.78 -37.41 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.34 -37.96 65.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.24 -149.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.538 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -119.65 115.81 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -54.63 -0.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.538 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -59.47 -37.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.743 ' O ' ' CG2' ' B' ' 29' ' ' THR . 13.5 m -109.47 19.44 19.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.676 ' O ' ' O ' ' B' ' 71' ' ' PRO . 2.8 t -88.44 -23.44 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.647 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -86.33 -45.47 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 108.271 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.5 Cg_endo -74.9 -4.71 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.609 1.847 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.743 ' CG2' ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -72.3 -43.62 63.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.791 ' C ' ' CD1' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -68.21 -49.18 62.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -37.34 -44.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -68.41 -41.23 80.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.573 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -65.54 -45.66 82.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.42 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -64.99 -41.36 95.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -60.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 109.201 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -77.74 -52.75 8.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.669 ' O ' ' C ' ' B' ' 38' ' ' ARG . 14.1 t -41.5 -76.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.702 ' O ' ' C ' ' B' ' 39' ' ' VAL . 4.2 ttp180 -10.9 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.702 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 t 3.33 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.675 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -8.88 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 56.02 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.1 OUTLIER -123.37 -2.3 8.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 0.777 . . . . 0.0 110.269 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.475 ' N ' ' O ' ' B' ' 40' ' ' GLN . 15.9 t60 -119.46 54.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.763 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -77.62 -33.72 41.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . 0.763 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.07 149.31 36.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -91.22 141.32 28.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 177.26 -27.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.838 ' O ' ' N ' ' B' ' 52' ' ' TYR . 38.4 m -82.7 -44.29 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.919 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.433 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -36.18 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.32 -64.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.508 ' CD1' ' O ' ' B' ' 55' ' ' ALA . 0.3 OUTLIER -71.63 -40.18 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.838 ' N ' ' O ' ' B' ' 48' ' ' SER . 11.3 t80 -37.52 -36.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.44 -56.44 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.668 ' CG1' ' N ' ' B' ' 55' ' ' ALA . 1.7 pp -80.96 -80.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.712 ' C ' ' CG ' ' B' ' 56' ' ' LYS . . . 175.63 -158.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.92 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -171.01 100.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.65 ' O ' ' CD2' ' B' ' 58' ' ' LEU . 0.6 OUTLIER -35.62 -54.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.827 ' O ' ' CD1' ' A' ' 21' ' ' TRP . 4.2 mt -169.34 -53.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.743 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -75.02 163.91 89.61 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.018 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.713 ' O ' ' C ' ' B' ' 61' ' ' VAL . 5.2 m-20 152.16 -56.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.713 ' C ' ' O ' ' B' ' 60' ' ' ASN . 3.1 t 2.44 -90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.571 ' N ' ' CG1' ' B' ' 61' ' ' VAL . 0.9 OUTLIER -152.89 18.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' B' ' 62' ' ' CYS . 1.7 p30 38.34 33.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.523 ' CG ' ' O ' ' B' ' 64' ' ' MET . 20.8 ptp -71.3 77.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -63.17 -3.16 1.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.413 ' N ' ' C ' ' B' ' 64' ' ' MET . 3.3 mt-30 -78.59 -37.28 42.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.604 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -100.33 -63.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.604 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 146.1 164.33 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.951 ' O ' ' SG ' ' B' ' 70' ' ' CYS . 0.5 OUTLIER -85.44 119.71 26.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 0.772 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.951 ' SG ' ' O ' ' B' ' 69' ' ' THR . 74.9 m -175.64 140.7 0.6 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 108.37 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.676 ' O ' ' O ' ' B' ' 26' ' ' VAL . 18.1 Cg_endo -75.05 166.93 28.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.788 ' CD1' ' CB ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -125.01 -176.73 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.508 ' O ' ' OE2' ' B' ' 17' ' ' GLU . 10.5 pt -147.73 174.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.411 ' O ' ' O ' ' B' ' 75' ' ' ILE . . . -104.67 -165.52 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.095 . . . . 0.0 109.227 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.711 ' C ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -77.22 -39.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.541 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -43.54 -46.31 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -58.55 -72.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -41.8 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 3' ' ' GLN . 5.2 mmm180 -66.75 -38.91 87.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.541 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.8 mm-40 -58.39 -72.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.648 ' C ' ' CD1' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -41.87 -38.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -67.06 -41.01 87.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.13 -37.1 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' CD ' ' C ' ' B' ' 75' ' ' ILE . 49.9 mm-40 -59.64 -88.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.713 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 175.71 64.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.713 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -1.59 114.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.635 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.668 ' CD1' ' CE1' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -32.07 153.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' ALA . 50.3 mtp180 -91.88 -64.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.608 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 78.1 m -78.69 -45.48 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.584 ' CG ' ' O ' ' A' ' 15' ' ' LEU . 1.0 OUTLIER -33.33 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -41.94 -64.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 1.3 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.8 OUTLIER -75.05 -70.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 108.059 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.619 ' C ' ' O ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -21.82 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.68 ' N ' ' O ' ' A' ' 21' ' ' TRP . 7.6 ttt180 -87.39 -57.58 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.1 tt0 -51.62 -38.23 53.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.575 ' N ' ' O ' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -37.23 -44.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 1.0 OUTLIER -69.68 -50.02 47.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -46.3 147.94 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.86 49.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 m -125.98 156.14 72.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -121.7 75.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.79 169.56 21.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 137.98 22.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.568 1.825 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.92 132.42 47.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.7 109.39 19.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.62 -72.25 0.2 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 157.43 42.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -126.37 86.82 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 107.973 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.402 ' O ' ' N ' ' B' ' 13' ' ' GLN . 7.1 mp -75.47 -42.33 53.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.411 ' O ' ' N ' ' B' ' 14' ' ' CYS . 2.4 ptt-85 -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.504 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 15.5 tt0 -40.76 -40.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.402 ' N ' ' O ' ' B' ' 10' ' ' LEU . 0.0 OUTLIER -44.48 -39.95 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.627 ' O ' ' CD2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -49.71 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 18' ' ' LEU . 19.2 t -56.62 -47.73 79.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.504 ' ND2' ' CG ' ' B' ' 12' ' ' GLU . 0.8 OUTLIER -38.71 -35.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.697 ' CG ' ' CD1' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -67.92 -35.15 77.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.701 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -71.96 -47.23 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -38.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.14 -36.98 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.575 ' N ' ' O ' ' B' ' 18' ' ' LEU . 3.6 tp10 -88.49 -150.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -141.95 -156.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.295 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -73.77 -1.56 19.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 5' ' ' CYS . 6.5 m -49.31 -44.88 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -137.57 47.88 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.631 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -79.96 -76.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.031 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -103.54 -9.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.341 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 1.031 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -3.64 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.555 1.819 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.473 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -83.29 -82.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.621 ' CD1' ' O ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -35.0 -44.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' OH ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -41.84 -55.66 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -83.54 -37.15 23.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.652 ' C ' ' CG2' ' B' ' 37' ' ' VAL . . . -57.23 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.506 ' C ' ' O ' ' B' ' 33' ' ' ALA . . . -32.36 -42.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.6 tptt -40.99 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' C ' ' B' ' 37' ' ' VAL . 16.1 m -84.73 -27.53 26.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.652 ' CG2' ' C ' ' B' ' 33' ' ' ALA . 0.9 OUTLIER -20.01 -76.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.613 ' N ' ' CG1' ' B' ' 37' ' ' VAL . 0.0 OUTLIER -82.8 -64.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 t -91.19 80.56 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.554 ' O ' ' N ' ' B' ' 42' ' ' GLN . 1.3 pt20 -85.44 -170.11 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.523 ' C ' ' CG ' ' B' ' 42' ' ' GLN . . . 63.78 -31.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.554 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER 179.37 106.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.31 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' B' ' 46' ' ' PHE . 8.5 t-80 -71.65 41.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.606 ' O ' ' CZ ' ' B' ' 46' ' ' PHE . . . -27.85 -77.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.162 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 129.59 12.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' B' ' 43' ' ' HIS . 1.6 m-85 -114.5 163.48 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.778 ' O ' ' N ' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -68.5 -37.01 79.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -36.17 -38.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -67.69 -54.76 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.434 ' O ' ' N ' ' B' ' 53' ' ' GLN . 1.1 tp -76.06 -33.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -34.65 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.3 tt0 -38.16 -57.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.874 ' CG1' ' N ' ' B' ' 55' ' ' ALA . 0.8 OUTLIER -88.77 -86.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.874 ' N ' ' CG1' ' B' ' 54' ' ' ILE . . . 165.75 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 1.3 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 173.13 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.685 ' O ' ' CZ3' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -50.41 -56.2 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.765 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 9.4 mt -160.35 -55.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.765 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.98 163.4 90.8 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.978 -0.048 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.65 ' O ' ' C ' ' B' ' 61' ' ' VAL . 7.5 m-20 146.64 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.65 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.8 t -17.17 -66.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.765 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 73.9 m -103.95 -92.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.765 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 44.1 t30 113.92 21.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.416 ' C ' ' N ' ' B' ' 66' ' ' GLN . 0.9 OUTLIER -133.96 112.38 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -5.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.416 ' N ' ' C ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -80.07 -26.52 39.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.554 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -98.41 -60.19 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.554 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 135.09 161.33 9.35 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.802 ' O ' ' CB ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -97.06 101.2 12.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.725 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.683 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -179.42 158.0 0.88 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.26 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 165.01 32.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.04 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.697 ' CD1' ' CG ' ' B' ' 17' ' ' GLU . 17.8 p90 -100.1 -170.92 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.473 ' O ' ' CD1' ' B' ' 72' ' ' PHE . 0.2 OUTLIER -97.89 152.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.18 175.48 8.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.441 ' C ' ' CD ' ' A' ' 12' ' ' GLU . 5.6 tp . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.19 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.28 -39.64 62.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.439 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -42.8 -39.57 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' SG ' ' N ' ' B' ' 25' ' ' CYS . 1.3 m -60.08 -74.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -37.83 -39.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.239 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -71.26 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 4' ' ' LYS . 7.0 mm-40 -38.14 -48.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.223 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.518 ' CE1' ' O ' ' B' ' 29' ' ' THR . 24.2 t80 -40.36 -66.6 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -78.86 -49.84 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.083 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.484 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -38.59 -37.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 8.7 mm-40 -76.53 -92.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.76 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 174.66 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.76 ' O ' ' O ' ' A' ' 13' ' ' GLN . 26.7 m170 -7.65 130.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.382 1.051 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.525 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -39.72 166.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 1.043 ' O ' ' N ' ' A' ' 19' ' ' GLN . 7.7 mtm180 -123.38 -72.05 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -29.3 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.6 ' O ' ' N ' ' A' ' 20' ' ' GLN . 83.2 m -69.65 -25.84 64.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 1.043 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pt20 -31.48 -33.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.615 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -55.13 -73.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.575 ' CZ3' ' CG2' ' A' ' 22' ' ' ILE . 0.0 OUTLIER -55.1 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.575 ' CG2' ' CZ3' ' A' ' 21' ' ' TRP . 2.6 pp -29.07 -43.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.498 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 0.1 OUTLIER -81.62 -48.36 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.615 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.7 tp60 -46.06 -36.77 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.06 -38.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' CD2' ' ND1' ' B' ' 43' ' ' HIS . 10.8 mt -45.52 -51.49 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -59.0 176.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -169.03 -83.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLY . 18.1 p -38.61 99.19 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -74.96 140.52 25.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -171.6 132.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.68 162.06 12.82 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.56 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 6.6 tt0 -161.68 110.6 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' B' ' 5' ' ' GLN . 0.6 OUTLIER -178.76 124.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.43 -173.17 46.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.07 36.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -78.91 116.16 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' GLN . 1.6 mp -70.63 -39.45 73.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -46.78 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 16.7 tt0 -56.24 -41.76 76.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' B' ' 10' ' ' LEU . 37.2 tt0 -48.65 -38.2 20.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 2.7 t -53.08 -65.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.331 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' B' ' 18' ' ' LEU . 2.5 t -56.53 -47.83 78.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.467 ' ND2' ' CG ' ' B' ' 12' ' ' GLU . 0.9 OUTLIER -39.29 -35.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.46 ' C ' ' CD ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -69.2 -42.1 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.593 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -82.67 -51.84 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.623 ' CE1' ' CE ' ' B' ' 64' ' ' MET . 0.2 OUTLIER -40.02 -41.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.9 OUTLIER -39.28 -37.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 20' ' ' GLN . 5.4 tp10 -60.12 -132.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.607 ' OD1' ' N ' ' B' ' 23' ' ' GLN . 22.8 t0 -134.25 150.6 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.607 ' N ' ' OD1' ' B' ' 22' ' ' ASP . 3.6 mp0 -44.0 -24.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.425 ' N ' ' C ' ' B' ' 22' ' ' ASP . 15.4 m -46.32 -38.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.616 ' O ' ' OG1' ' B' ' 29' ' ' THR . 1.8 m -104.3 59.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.337 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.607 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 2.1 t -82.67 -87.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.986 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.6 OUTLIER -90.95 -16.79 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.324 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.986 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -8.03 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.616 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -75.92 -60.59 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.691 ' CB ' ' O ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -64.49 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.6 OUTLIER -38.34 -35.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.377 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.69 -43.65 80.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.574 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -73.95 -50.17 21.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' B' ' 33' ' ' ALA . . . -39.19 -43.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.568 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 8.2 tttp -50.3 -41.8 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.569 ' N ' ' O ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER -82.56 -43.26 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' B' ' 38' ' ' ARG . 98.4 t -39.41 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.7 ttt180 -36.04 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.693 ' O ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -19.6 103.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 3.1 pt20 -0.4 -112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 52.4 -95.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.57 -0.95 44.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 110.229 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.595 ' ND1' ' CD2' ' A' ' 26' ' ' LEU . 3.3 t-160 -137.88 67.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -20.91 -65.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . 0.505 ' O ' ' O ' ' B' ' 43' ' ' HIS . 18.1 Cg_endo -74.93 155.16 43.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.94 138.92 39.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.488 ' O ' ' CG2' ' B' ' 51' ' ' ILE . 0.9 OUTLIER -171.74 41.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -66.8 -56.86 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.947 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -37.54 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.2 OUTLIER -74.78 -72.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.488 ' CG2' ' O ' ' B' ' 47' ' ' GLN . 2.4 tp -38.6 -45.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -38.65 -55.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' B' ' 54' ' ' ILE . 36.3 mt-30 -82.04 -42.3 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.401 ' C ' ' O ' ' B' ' 53' ' ' GLN . 1.1 mm -40.27 -82.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.553 ' CB ' ' NE1' ' A' ' 21' ' ' TRP . . . -88.21 -175.3 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 170.97 -11.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.664 ' O ' ' CG2' ' B' ' 61' ' ' VAL . 45.4 t30 -149.96 -38.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.703 ' N ' ' CA ' ' B' ' 59' ' ' PRO . 4.4 mt 161.89 -47.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.703 ' CA ' ' N ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.94 142.72 75.61 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.706 ' O ' ' C ' ' B' ' 61' ' ' VAL . 4.7 m-20 160.52 -62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.706 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.4 t 0.8 -80.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.608 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 0.5 OUTLIER -100.86 -57.69 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.608 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 9.3 t-20 90.63 20.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.623 ' CE ' ' CE1' ' B' ' 19' ' ' TYR . 21.6 mtm -117.44 92.16 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -68.51 1.22 3.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.8 pm0 -74.64 -52.57 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -72.09 -83.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.416 ' CA ' ' CG1' ' B' ' 26' ' ' VAL . . . 177.22 145.22 5.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.519 ' CB ' ' O ' ' B' ' 56' ' ' LYS . 1.0 OUTLIER -128.64 144.01 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.691 ' O ' ' CB ' ' B' ' 30' ' ' LEU . 38.0 m -161.81 162.52 20.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 108.365 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.643 ' O ' ' C ' ' B' ' 30' ' ' LEU . 18.4 Cg_endo -74.94 142.75 28.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.718 ' CD1' ' O ' ' B' ' 73' ' ' ILE . 0.1 OUTLIER -139.97 168.12 20.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.718 ' O ' ' CD1' ' B' ' 72' ' ' PHE . 1.6 tt -121.86 164.81 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -121.23 -73.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 129.25 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -40.6 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -56.52 -41.32 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -45.6 94.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.154 . . . . 0.0 108.361 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -63.03 -48.91 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.369 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.517 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.7 OUTLIER -62.94 -53.52 52.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.413 ' N ' ' O ' ' A' ' 4' ' ' LYS . 17.7 mt-10 -39.52 -47.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -54.29 -65.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.068 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' O ' ' C ' ' A' ' 11' ' ' GLN . 0.5 OUTLIER -61.39 -39.31 90.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.3 OUTLIER -38.13 -42.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.5 ' CG ' ' O ' ' B' ' 75' ' ' ILE . 5.4 mm-40 -88.59 -93.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.7 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 176.41 64.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.7 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 3.8 80.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.601 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.573 ' CD2' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -33.79 155.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.7 mtt180 -80.59 -52.89 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.79 -28.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.69 ' CB ' ' CZ ' ' B' ' 72' ' ' PHE . 4.0 m -76.1 -39.96 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 108.283 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.6 mt-30 -43.65 -43.3 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -62.0 -32.78 73.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.64 ' CD1' ' CG2' ' B' ' 61' ' ' VAL . 1.6 t90 -36.1 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.688 ' CG2' ' CG1' ' B' ' 37' ' ' VAL . 0.0 OUTLIER -78.14 -52.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.639 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 66.6 ttt-85 -38.05 -51.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 8.8 tm0? -53.15 -43.43 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.218 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.73 -52.87 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 22' ' ' ILE . 6.1 mt -39.67 -47.06 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.3 123.56 22.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.88 83.63 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -97.17 149.65 35.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.097 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.72 13.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.3 p -60.87 118.74 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 40.18 -157.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.65 35.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -51.82 128.3 23.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -178.22 175.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.37 86.6 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 150.38 38.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.574 1.828 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -82.12 61.03 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 107.964 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.23 -45.2 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -47.78 -42.11 25.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.464 ' O ' ' N ' ' B' ' 16' ' ' ASN . 17.7 mt-10 -48.23 -39.8 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' B' ' 17' ' ' GLU . 84.7 mt-30 -49.32 -58.82 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.566 ' O ' ' CD2' ' B' ' 18' ' ' LEU . 0.5 OUTLIER -52.61 -45.38 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 2.1 t -59.92 -40.47 88.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.464 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -70.07 -38.43 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.486 ' N ' ' O ' ' B' ' 13' ' ' GLN . 11.0 mm-40 -62.4 -52.74 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.566 ' CD2' ' O ' ' B' ' 14' ' ' CYS . 0.6 OUTLIER -63.1 -42.52 99.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -52.25 -42.28 63.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -77.3 -30.74 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.635 ' OE2' ' N ' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -80.82 -150.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -123.55 121.27 35.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.49 ' O ' ' N ' ' B' ' 26' ' ' VAL . 1.2 pp0? -48.52 -13.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' SG ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -34.48 -41.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.784 ' O ' ' OG1' ' B' ' 29' ' ' THR . 24.1 m -120.77 55.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 108.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.616 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 1.2 t -97.11 -67.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.824 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -76.27 -32.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.824 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.1 Cg_endo -74.99 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.784 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -86.17 -68.92 0.7 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.722 ' CD1' ' CG ' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -29.75 -52.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -44.04 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' B' ' 29' ' ' THR . 0.0 OUTLIER -78.29 -62.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.807 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -47.4 -48.03 26.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.621 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -44.2 -53.14 6.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.693 ' CE ' ' CE2' ' B' ' 46' ' ' PHE . 4.7 tptt -59.06 -67.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 37' ' ' VAL . 31.1 t -54.16 -37.36 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.807 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.5 t -35.83 -92.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.789 ' O ' ' O ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -103.83 -78.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.789 ' O ' ' O ' ' B' ' 38' ' ' ARG . 0.7 OUTLIER 7.49 116.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -179.07 -115.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.469 ' C ' ' N ' ' B' ' 43' ' ' HIS . . . -67.96 -84.49 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -9.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.469 ' N ' ' C ' ' B' ' 41' ' ' GLY . 21.4 t60 -133.73 57.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.822 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -78.62 -28.05 55.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.1 Cg_endo -74.95 128.44 11.52 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.572 1.827 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.693 ' CE2' ' CE ' ' B' ' 35' ' ' LYS . 3.0 m-85 -97.67 142.53 29.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -166.0 6.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.721 ' O ' ' N ' ' B' ' 52' ' ' TYR . 68.7 m -82.45 -37.47 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -68.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.6 OUTLIER -52.96 -34.41 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -32.35 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -39.15 -35.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 1.215 ' O ' ' O ' ' B' ' 55' ' ' ALA . 3.0 mt -80.77 -38.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 1.215 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 10.43 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER 170.51 131.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.715 ' ND2' ' CD ' ' B' ' 71' ' ' PRO . 0.1 OUTLIER -8.44 -54.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.84 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 0.4 OUTLIER -171.35 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.84 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 156.41 99.86 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.902 -2.541 . . . . 0.0 110.974 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.703 ' O ' ' C ' ' B' ' 61' ' ' VAL . 6.5 m-20 154.97 -85.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.07 . . . . 0.0 109.333 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.703 ' C ' ' O ' ' B' ' 60' ' ' ASN . 45.1 t 8.86 -101.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.52 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 1.5 m -113.75 -45.97 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.6 ' O ' ' N ' ' B' ' 65' ' ' LYS . 18.5 m-20 82.99 21.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.505 ' O ' ' O ' ' B' ' 68' ' ' GLY . 8.5 mmt -51.19 80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' B' ' 63' ' ' ASN . 3.0 ttpt -71.84 -1.12 13.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.06 -36.63 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.575 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.8 OUTLIER -93.77 -61.52 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.575 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . -176.55 -179.7 47.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 1.209 ' O ' ' CD ' ' B' ' 71' ' ' PRO . 5.1 t -102.0 -125.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.517 ' C ' ' O ' ' B' ' 69' ' ' THR . 0.7 OUTLIER -33.29 74.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 1.209 ' CD ' ' O ' ' B' ' 69' ' ' THR . 18.1 Cg_endo -75.04 160.26 40.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.946 ' CD1' ' O ' ' B' ' 71' ' ' PRO . 0.5 OUTLIER 174.39 161.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.423 ' CG1' ' OE2' ' B' ' 21' ' ' GLU . 13.0 tt -114.39 152.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.58 ' N ' ' OE2' ' B' ' 21' ' ' GLU . . . -117.6 -73.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' N ' ' OE2' ' B' ' 21' ' ' GLU . 2.1 mm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.401 ' CD ' ' N ' ' A' ' 1' ' ' GLN . 2.8 mp0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.82 11.76 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.501 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.53 -42.09 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -37.79 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.7 t -49.72 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -53.15 18.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 17.0 mmm-85 -40.17 -42.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.692 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -64.94 -80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.449 ' CZ ' ' CB ' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -38.19 -32.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 111.031 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.565 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -82.14 -40.39 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 8' ' ' GLU . 7.6 mm100 -82.46 -37.3 25.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.692 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -46.48 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 179.11 50.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 1.31 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.621 ' CD2' ' O ' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -40.61 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.783 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.4 ttt-85 -113.25 -40.27 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.04 -35.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.639 ' O ' ' N ' ' A' ' 20' ' ' GLN . 81.4 m -81.73 -33.01 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.248 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.783 ' N ' ' O ' ' A' ' 16' ' ' ARG . 1.5 tm0? -33.29 -28.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.91 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.986 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -72.55 -60.79 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.778 ' CG2' ' CA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -22.02 -51.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.532 ' N ' ' O ' ' A' ' 21' ' ' TRP . 0.6 OUTLIER -82.84 -52.75 6.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.491 ' N ' ' O ' ' A' ' 21' ' ' TRP . 34.1 tt0 -49.84 -47.8 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.3 tm0? -46.86 -58.66 3.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' CD1' ' O ' ' B' ' 34' ' ' ALA . 19.0 mt -46.5 -49.07 18.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -47.89 100.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.33 116.97 4.92 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 p -45.81 156.68 0.43 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 154.0 41.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -82.65 168.14 17.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.02 -61.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 139.99 24.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.32 111.41 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -53.41 177.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.47 -74.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.09 34.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.465 1.771 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.59 85.89 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 107.983 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.17 -41.75 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 109.253 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' B' ' 14' ' ' CYS . 1.2 ptp180 -40.67 -44.62 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -41.11 -44.05 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -48.34 -40.99 27.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' B' ' 11' ' ' ARG . 0.5 OUTLIER -53.01 -47.61 68.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.587 ' O ' ' N ' ' B' ' 18' ' ' LEU . 50.5 t -68.53 -60.62 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -40.12 -39.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.72 -38.12 83.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.587 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -79.11 -43.8 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.505 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -62.25 -51.87 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 19' ' ' TYR . 4.7 mt-30 -38.52 -38.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' OE2' ' A' ' 8' ' ' GLU . 6.0 tp10 -82.07 -142.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.496 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -113.87 120.21 39.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' B' ' 25' ' ' CYS . 4.5 pp0? -45.88 -16.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.496 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -37.21 -31.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.481 ' N ' ' O ' ' B' ' 23' ' ' GLN . 70.9 m -78.06 38.55 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 108.248 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.58 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 2.3 t -37.03 -85.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.049 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -126.33 4.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 1.049 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -10.84 21.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.47 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -83.22 -74.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.898 ' CD1' ' O ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -35.45 -38.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.58 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 13.7 mttt -40.81 -61.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.73 -38.34 21.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.664 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -50.96 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.533 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -51.87 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.494 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' CG2' ' B' ' 75' ' ' ILE . 0.5 OUTLIER -85.87 -39.74 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.664 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.1 t -31.77 -84.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.584 ' N ' ' CG1' ' B' ' 37' ' ' VAL . 0.0 OUTLIER -92.83 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.628 ' CG2' ' CG ' ' B' ' 43' ' ' HIS . 6.3 m -63.55 179.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.38 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.78 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.61 1.194 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -6.3 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.628 ' CG ' ' CG2' ' B' ' 39' ' ' VAL . 0.2 OUTLIER -104.44 47.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -64.46 -44.27 95.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.6 Cg_endo -74.91 128.86 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.47 ' C ' ' N ' ' B' ' 48' ' ' SER . 3.9 m-85 -100.72 20.44 15.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.9 -14.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.712 ' O ' ' N ' ' B' ' 52' ' ' TYR . 3.2 m -75.52 -35.69 60.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.466 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 0.3 OUTLIER -33.89 -38.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' B' ' 48' ' ' SER . 8.4 ttt180 -80.11 -59.7 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -59.86 -42.31 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.712 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.2 OUTLIER -31.77 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.5 tm0? -38.22 -36.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' B' ' 55' ' ' ALA . 11.3 pt -62.98 -59.04 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 1.069 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 14.18 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.986 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 167.93 114.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.959 ' O ' ' CZ3' ' A' ' 21' ' ' TRP . 0.1 OUTLIER -35.01 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.763 ' CB ' ' C ' ' B' ' 59' ' ' PRO . 2.7 mt -161.03 -55.16 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.763 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -75.08 164.26 88.77 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.995 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.676 ' O ' ' C ' ' B' ' 61' ' ' VAL . 2.7 m-20 159.41 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.676 ' C ' ' O ' ' B' ' 60' ' ' ASN . 7.8 p 9.48 -124.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.619 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 0.5 OUTLIER -68.85 -91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER 146.61 56.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.593 ' CG ' ' O ' ' B' ' 64' ' ' MET . 11.1 ptp -140.72 108.05 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -0.44 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -76.85 -26.65 54.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.601 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -100.72 -61.56 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.601 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 133.36 158.38 8.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.512 ' C ' ' SG ' ' B' ' 70' ' ' CYS . 0.1 OUTLIER -107.47 119.02 38.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.901 ' O ' ' CE1' ' B' ' 72' ' ' PHE . 1.5 m -162.03 152.41 14.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.898 ' O ' ' CD1' ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.06 127.57 10.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.379 1.726 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.901 ' CE1' ' O ' ' B' ' 70' ' ' CYS . 29.8 m-85 -116.42 58.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.576 ' O ' ' CB ' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -150.06 144.01 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -119.87 -118.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.633 ' CG2' ' O ' ' B' ' 36' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 129.14 12.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.446 ' O ' ' N ' ' A' ' 7' ' ' ARG . 1.1 tt0 -75.05 -53.66 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -45.24 -42.18 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.54 -60.93 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.604 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -64.63 -57.72 8.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.02 -63.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 7' ' ' ARG . 22.7 mt-10 -36.82 -36.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.885 ' CE2' ' CE1' ' A' ' 14' ' ' HIS . 8.8 t80 -53.56 -70.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.425 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.9 tt0 -73.45 -38.96 65.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -36.84 -42.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.522 ' OE1' ' O ' ' B' ' 74' ' ' ALA . 3.7 mm-40 -89.62 -93.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 1.002 ' O ' ' O ' ' A' ' 14' ' ' HIS . 1.8 mt-30 178.93 73.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 1.002 ' O ' ' O ' ' A' ' 13' ' ' GLN . 9.9 m170 -4.0 139.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.596 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.613 ' CD1' ' C ' ' B' ' 73' ' ' ILE . 0.0 OUTLIER -54.96 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 19' ' ' GLN . 2.4 mtt180 -116.5 -64.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.03 -35.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.79 -39.88 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.56 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.6 OUTLIER -48.26 -32.89 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -39.77 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.869 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -53.19 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.011 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.581 ' N ' ' CD2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -30.26 -48.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.465 ' N ' ' O ' ' A' ' 19' ' ' GLN . 0.5 OUTLIER -88.21 -64.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.8 tp60 -39.85 -36.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.565 ' N ' ' O ' ' A' ' 21' ' ' TRP . 4.7 tm0? -35.38 -39.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.453 ' CD2' ' ND1' ' B' ' 43' ' ' HIS . 4.3 mt -56.41 -50.74 70.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -48.6 173.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.34 43.91 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 t -38.8 102.44 0.25 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 143.48 29.21 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.414 1.744 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.87 59.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.36 -80.01 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.17 27.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -123.32 98.79 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.03 56.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.21 -79.3 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.86 42.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -130.52 53.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.04 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -40.9 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -53.69 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.484 ' O ' ' N ' ' B' ' 16' ' ' ASN . 14.5 mt-10 -40.78 -42.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 12.7 tt0 -45.89 -48.4 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.455 ' O ' ' CE1' ' B' ' 72' ' ' PHE . 0.5 OUTLIER -50.51 -51.23 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.585 1.178 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.708 ' O ' ' N ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -67.68 -61.17 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.516 ' N ' ' SG ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -37.38 -35.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.856 ' CG ' ' CE2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -79.76 -38.77 32.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.66 ' CD2' ' O ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -83.63 -53.29 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.708 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -33.58 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 18' ' ' LEU . 1.1 mm-40 -54.06 -36.87 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.637 ' N ' ' O ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -81.05 -151.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.551 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.02 113.76 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.428 ' CD ' ' N ' ' B' ' 23' ' ' GLN . 0.0 OUTLIER -50.09 -6.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.551 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -39.31 -42.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.762 ' O ' ' CG2' ' B' ' 29' ' ' THR . 18.4 m -131.57 3.32 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.738 ' O ' ' O ' ' B' ' 71' ' ' PRO . 26.7 t -84.28 -24.11 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.645 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.8 OUTLIER -86.84 -45.12 0.54 Allowed Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 108.29 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.645 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.1 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.762 ' CG2' ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -65.19 -38.19 89.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.542 ' C ' ' CD1' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -48.34 -52.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.6 -38.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.07 -43.4 78.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -57.97 -38.65 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 38' ' ' ARG . . . -64.97 -39.27 93.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' B' ' 34' ' ' ALA . 0.9 OUTLIER -37.75 -58.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.0 m -69.61 -51.21 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.653 ' O ' ' C ' ' B' ' 38' ' ' ARG . 29.1 t -53.73 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.693 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -13.02 -73.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.693 ' C ' ' O ' ' B' ' 38' ' ' ARG . 54.1 t 0.9 81.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 2.6 tt0 0.65 -109.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 45.01 -94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -83.28 -4.46 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.659 ' N ' ' O ' ' B' ' 40' ' ' GLN . 5.8 t-160 -118.18 54.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.623 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.634 ' O ' ' CE1' ' B' ' 46' ' ' PHE . . . -32.46 -55.99 0.45 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.3 Cg_endo -74.89 150.62 38.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' B' ' 44' ' ' GLY . 1.0 OUTLIER -115.92 139.57 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.55 ' O ' ' CG2' ' B' ' 51' ' ' ILE . 0.1 OUTLIER -174.73 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.683 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.7 OUTLIER -55.54 -56.89 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -38.72 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' B' ' 53' ' ' GLN . 0.4 OUTLIER -81.18 -72.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.55 ' CG2' ' O ' ' B' ' 47' ' ' GLN . 1.2 tp -36.44 -36.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' B' ' 48' ' ' SER . 3.4 m-30 -63.16 -52.68 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 50' ' ' ARG . 3.2 tm0? -81.42 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.498 ' CG1' ' CA ' ' B' ' 51' ' ' ILE . 2.0 pp -36.08 -69.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.473 ' N ' ' CG1' ' B' ' 54' ' ' ILE . . . -60.27 174.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 177.74 -100.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.583 ' O ' ' CG ' ' B' ' 58' ' ' LEU . 2.0 t-20 -53.73 -45.36 70.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.869 ' CD2' ' CE3' ' A' ' 21' ' ' TRP . 1.9 mt 174.4 -52.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.723 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 150.88 96.18 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.992 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.717 ' O ' ' C ' ' B' ' 61' ' ' VAL . 1.0 OUTLIER 155.11 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.717 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.0 t 2.5 -82.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.223 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.636 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 0.1 OUTLIER -92.6 -90.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 108.32 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 16.6 m-20 144.75 46.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -135.29 90.28 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.84 -3.15 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' B' ' 67' ' ' ILE . 1.7 pt20 -70.92 -41.11 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -122.31 -58.05 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 109.76 144.28 10.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.466 ' CG2' ' CD2' ' B' ' 18' ' ' LEU . 36.2 m -135.57 91.39 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.707 ' CB ' ' CD ' ' B' ' 71' ' ' PRO . 1.9 m -71.36 -169.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.367 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.738 ' O ' ' O ' ' B' ' 26' ' ' VAL . 18.5 Cg_endo -74.93 162.8 36.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.856 ' CE2' ' CG ' ' B' ' 17' ' ' GLU . 2.6 p90 -124.87 -137.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 2.7 pt -115.11 150.33 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.522 ' O ' ' OE1' ' A' ' 12' ' ' GLU . . . -118.21 -167.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . 0.448 ' N ' ' OE1' ' A' ' 1' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.96 129.25 12.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.68 -43.78 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.429 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.9 mttt -56.83 -39.82 74.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' SG ' ' CG1' ' B' ' 24' ' ' VAL . 1.5 m -56.94 -66.78 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -38.28 -39.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 11' ' ' GLN . 2.3 mtt180 -75.39 -64.25 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -39.09 -39.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 28.9 t80 -45.67 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.16 -40.16 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 110.245 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' N ' ' O ' ' A' ' 7' ' ' ARG . 2.1 mp0 -51.51 -36.4 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 6.0 mm-40 -74.32 -90.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.697 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 173.96 72.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.225 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.697 ' C ' ' O ' ' A' ' 13' ' ' GLN . 21.3 m170 -7.18 120.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 109.547 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.08 174.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.554 ' O ' ' N ' ' A' ' 19' ' ' GLN . 69.6 mtm-85 -119.05 -72.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' C ' ' N ' ' A' ' 19' ' ' GLN . . . -34.75 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.673 ' SG ' ' CD2' ' B' ' 72' ' ' PHE . 50.7 m -42.04 -25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 3.8 mm-40 -35.58 -50.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 24' ' ' GLN . 3.7 mt-30 -57.72 -39.52 77.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 1.075 ' CZ2' ' CA ' ' B' ' 71' ' ' PRO . 0.7 OUTLIER -41.45 -67.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.573 ' C ' ' CD1' ' A' ' 22' ' ' ILE . 0.2 OUTLIER -77.71 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 3.6 ttt180 -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 20' ' ' GLN . 5.9 tt0 -54.76 -41.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -48.99 -55.26 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.3 mt -60.12 -42.59 95.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -41.17 126.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.83 -53.52 2.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -119.77 83.06 28.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.401 0.706 . . . . 0.0 109.998 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 158.86 41.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -64.75 146.77 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.21 68.23 1.79 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.15 39.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.568 1.825 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -120.19 102.35 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.94 63.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 -162.85 19.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.63 29.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -139.25 176.11 8.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.038 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.78 -49.94 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.484 ' CZ ' ' OE1' ' B' ' 12' ' ' GLU . 21.7 ptt85 -52.87 -43.88 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.489 ' O ' ' N ' ' B' ' 16' ' ' ASN . 0.3 OUTLIER -71.92 -40.58 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . 0.484 ' O ' ' N ' ' B' ' 17' ' ' GLU . 1.5 mm100 -47.86 -55.07 10.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -48.46 74.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 2.4 t -58.22 -38.89 77.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.489 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -71.09 -37.68 72.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' B' ' 13' ' ' GLN . 0.0 OUTLIER -56.67 -39.01 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.592 ' CD1' ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -39.22 44.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.457 ' OH ' ' SD ' ' B' ' 64' ' ' MET . 0.3 OUTLIER -58.64 -71.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -39.63 -35.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' B' ' 20' ' ' GLN . 0.6 OUTLIER -60.4 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.495 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -115.12 116.89 29.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -47.05 -15.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.495 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -36.97 -31.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.493 ' O ' ' C ' ' B' ' 26' ' ' VAL . 81.8 m -96.87 55.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.517 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 2.4 t -33.53 -83.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 0.949 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -138.86 22.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 0.949 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.3 Cg_endo -74.99 -25.64 11.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.457 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.3 OUTLIER -67.01 -74.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.92 ' CB ' ' O ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -36.0 -39.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.514 ' CE ' ' O ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -38.49 -55.22 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.86 -48.57 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . . . . . . . . . . . -42.32 -49.61 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' B' ' 30' ' ' LEU . . . -74.81 -41.19 60.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 13.8 tptm -39.06 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 19.7 m -80.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.601 ' O ' ' O ' ' B' ' 38' ' ' ARG . 2.3 t -50.82 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.692 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.1 mmt180 -23.02 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.692 ' C ' ' O ' ' B' ' 38' ' ' ARG . 2.5 m -7.34 109.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' B' ' 39' ' ' VAL . 12.0 tm0? -34.28 150.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.1 -43.5 0.63 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -125.53 -3.83 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.784 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 38.5 t60 -149.9 59.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.557 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . 33.93 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 157.75 42.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.55 1.816 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . 0.784 ' CE2' ' CD2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -156.28 145.9 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -87.83 41.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.699 ' O ' ' N ' ' B' ' 52' ' ' TYR . 76.0 p -67.64 -53.2 29.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.477 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -32.38 -37.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -82.99 -72.36 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . . . . . . . . . 4.4 tp -51.06 -38.83 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.699 ' N ' ' O ' ' B' ' 48' ' ' SER . 19.8 t80 -40.59 -33.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 52' ' ' TYR . 2.9 tm0? -35.69 -72.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.599 ' C ' ' CD1' ' B' ' 54' ' ' ILE . 0.0 OUTLIER -80.35 -77.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.575 ' N ' ' CG2' ' B' ' 54' ' ' ILE . . . -178.37 -147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.927 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -178.63 86.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.711 ' O ' ' CD2' ' B' ' 58' ' ' LEU . 0.2 OUTLIER -35.68 -56.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.765 ' CD2' ' O ' ' A' ' 21' ' ' TRP . 0.3 OUTLIER 172.05 -53.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.738 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.1 Cg_endo -75.12 160.41 96.49 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.932 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.713 ' O ' ' C ' ' B' ' 61' ' ' VAL . 1.5 m120 160.64 -68.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.713 ' C ' ' O ' ' B' ' 60' ' ' ASN . 58.0 t 0.35 -106.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.568 ' SG ' ' CG1' ' B' ' 61' ' ' VAL . 0.1 OUTLIER -122.74 7.6 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.457 ' CG ' ' C ' ' B' ' 62' ' ' CYS . 0.1 OUTLIER 44.21 38.64 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.535 ' CG ' ' SG ' ' B' ' 62' ' ' CYS . 0.3 OUTLIER -66.84 81.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 12.7 tttm -72.65 -1.78 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.68 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -79.22 -83.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.91 33.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.674 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.5 OUTLIER -81.76 -169.81 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.433 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.832 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 1.3 m 174.79 115.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 1.075 ' CA ' ' CZ2' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.703 ' CD2' ' CD1' ' A' ' 21' ' ' TRP . 21.9 m-85 -136.01 -154.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.457 ' CD1' ' O ' ' B' ' 75' ' ' ILE . 0.8 OUTLIER -100.29 -174.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -136.81 -83.25 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.457 ' O ' ' CD1' ' B' ' 73' ' ' ILE . 7.4 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.09 130.68 13.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . 0.575 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -73.47 -33.43 64.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.0 mtmm -36.56 -51.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -63.45 -76.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -36.79 -38.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.575 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 ttt-85 -78.52 -46.68 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -40.53 -40.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 110.231 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . 0.422 ' C ' ' O ' ' A' ' 8' ' ' GLU . 3.1 t80 -34.83 -68.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -85.18 -36.54 20.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -50.94 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.553 ' CD ' ' O ' ' A' ' 8' ' ' GLU . 1.1 pt-20 -73.66 -87.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.688 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.5 mt-30 171.99 72.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.688 ' C ' ' O ' ' A' ' 13' ' ' GLN . 20.1 m170 10.17 87.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.611 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -27.11 148.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.753 ' O ' ' N ' ' A' ' 19' ' ' GLN . 21.3 mtt-85 -103.23 -52.02 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.38 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.661 ' SG ' ' CG ' ' B' ' 72' ' ' PHE . 63.5 m -58.45 -27.68 64.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -35.88 -39.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.2 -37.57 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 1.038 ' CE3' ' O ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -53.39 -51.7 61.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.98 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' A' ' 25' ' ' GLN . 2.4 pp -75.76 -57.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' N ' ' CD1' ' A' ' 22' ' ' ILE . 0.3 OUTLIER -37.25 -57.48 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -49.51 -36.65 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.555 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -49.88 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.476 ' CD1' ' CD ' ' B' ' 38' ' ' ARG . 3.8 mt -49.12 -48.35 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.4 ' O ' ' O ' ' A' ' 26' ' ' LEU . . . -40.81 160.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -153.35 -78.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -38.91 100.1 0.2 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 0.771 . . . . 0.0 109.96 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.28 23.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.548 1.815 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' B' ' 3' ' ' GLY . 2.1 m -41.47 148.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' B' ' 2' ' ' SER . . . -37.63 99.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.49 42.78 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.18 171.98 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.17 163.46 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . 0.516 ' O ' ' CE2' ' B' ' 9' ' ' TRP . . . 175.72 177.24 44.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' B' ' 9' ' ' TRP . 18.7 Cg_endo -74.95 150.16 37.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . 0.516 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 1.5 m-90 -143.6 55.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.71 -40.78 61.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -55.21 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' B' ' 16' ' ' ASN . 47.0 mt-10 -49.39 -41.09 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -53.4 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -52.72 -38.47 60.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . . . . . . . . . 49.8 t -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.745 ' O ' ' N ' ' B' ' 20' ' ' GLN . 0.8 OUTLIER -55.75 -36.17 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -48.73 -47.25 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.59 ' CD1' ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.83 -42.52 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.423 ' O ' ' C ' ' B' ' 20' ' ' GLN . 0.2 OUTLIER -69.36 -35.23 75.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' B' ' 16' ' ' ASN . 1.2 mt-30 -37.3 -40.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . 0.486 ' CB ' ' SG ' ' B' ' 25' ' ' CYS . 3.1 tp10 -101.72 -146.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -125.79 -154.23 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -48.28 -22.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.57 ' CG2' ' N ' ' B' ' 25' ' ' CYS . 1.0 OUTLIER -47.47 -54.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.57 ' N ' ' CG2' ' B' ' 24' ' ' VAL . 1.3 p -127.2 39.66 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.688 ' CG1' ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -63.89 -77.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.06 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -120.54 1.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 108.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 1.06 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -75.06 -13.19 21.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -72.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.622 ' O ' ' O ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -40.79 -38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' B' ' 52' ' ' TYR . 21.6 mtpt -39.21 -67.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -73.41 -46.46 48.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.532 ' CB ' ' C ' ' B' ' 72' ' ' PHE . . . -39.31 -44.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.493 ' O ' ' C ' ' B' ' 35' ' ' LYS . . . -72.39 -36.37 68.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.594 ' N ' ' O ' ' B' ' 32' ' ' GLN . 0.1 OUTLIER -33.76 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 30.5 m -59.6 -37.88 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.758 ' CG1' ' N ' ' B' ' 38' ' ' ARG . 0.5 OUTLIER -36.19 -69.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.807 ' O ' ' N ' ' B' ' 40' ' ' GLN . 6.1 mmp_? -95.75 -103.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.685 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.1 m 12.11 51.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' B' ' 38' ' ' ARG . 15.9 tm0? 175.68 156.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.478 ' C ' ' N ' ' B' ' 43' ' ' HIS . . . 64.67 -140.05 42.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -7.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.707 ' C ' ' CD ' ' B' ' 45' ' ' PRO . 27.8 t60 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.615 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.979 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -82.09 -10.0 84.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . 0.979 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.05 129.43 12.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -94.49 154.29 17.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 178.23 -23.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.661 ' OG ' ' CE1' ' B' ' 52' ' ' TYR . 1.4 p -38.78 -35.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.79 -53.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -62.92 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.897 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -41.35 -35.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.661 ' CE1' ' OG ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -32.64 -46.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.15 -39.7 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 1.073 ' O ' ' O ' ' B' ' 55' ' ' ALA . 4.8 mm -77.57 -45.28 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 1.073 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 12.16 -155.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.268 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.658 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 168.78 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.777 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 1.0 OUTLIER -25.27 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.846 ' CD2' ' O ' ' A' ' 21' ' ' TRP . 0.9 OUTLIER -158.21 -54.77 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.758 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 160.57 96.35 Favored 'Cis proline' 0 C--N 1.359 1.099 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.0 0.021 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.612 ' O ' ' C ' ' B' ' 61' ' ' VAL . 1.3 m120 151.61 -59.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.614 ' CG2' ' CD1' ' A' ' 21' ' ' TRP . 3.2 t -22.61 -86.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.511 ' N ' ' CG1' ' B' ' 61' ' ' VAL . 80.5 m -115.32 -32.42 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.438 ' OD1' ' N ' ' B' ' 60' ' ' ASN . 32.9 m-20 64.87 30.72 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 28.5 mtm -114.62 94.1 4.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 4.49 20.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -63.31 -26.0 68.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.58 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -116.71 -60.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.58 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 175.63 149.32 7.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.579 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 1.4 t -143.49 123.54 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.872 ' C ' ' CZ2' ' A' ' 21' ' ' TRP . 61.2 m -161.02 163.39 20.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.622 ' O ' ' O ' ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.04 130.88 13.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.788 ' CD1' ' CD1' ' A' ' 21' ' ' TRP . 31.9 m-85 -77.42 -152.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.46 ' CG2' ' CD2' ' A' ' 15' ' ' LEU . 7.9 tt -115.74 175.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.432 ' N ' ' CG1' ' B' ' 73' ' ' ILE . . . -104.1 -157.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.373 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 129.19 12.17 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.32 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 8' ' ' GLU . 7.3 mmtt -42.88 -40.48 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -46.18 -45.2 16.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 11' ' ' GLN . 3.9 ttt85 -61.44 -59.25 5.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.884 ' OE2' ' C ' ' B' ' 75' ' ' ILE . 4.7 mm-40 -40.34 -48.4 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -46.79 -61.86 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.1 tt0 -68.28 -37.07 80.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 10' ' ' GLN . 0.3 OUTLIER -36.56 -38.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.173 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -92.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER 176.88 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 24.0 m170 1.3 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.671 ' CD2' ' CD2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -44.2 161.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.617 ' O ' ' N ' ' A' ' 19' ' ' GLN . 34.1 mtm180 -109.93 -44.05 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.16 -36.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . 0.681 ' SG ' ' CE1' ' B' ' 72' ' ' PHE . 99.4 m -84.04 -38.95 20.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.617 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.3 pt20 -36.1 -37.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.66 -53.48 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . 0.801 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -81.38 -51.2 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 108.038 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . 0.552 ' CG2' ' N ' ' B' ' 34' ' ' ALA . 11.4 mt -35.37 -47.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.73 -56.87 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -45.51 -39.85 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -39.81 -50.28 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 13.3 mt -43.57 -47.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.12 156.0 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.85 168.99 20.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.1 t -176.11 82.42 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 147.55 34.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLN . . . . . 0.452 ' CD ' ' N ' ' B' ' 1' ' ' GLN . 2.5 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -97.69 113.64 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.98 -151.79 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 155.02 42.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -42.77 145.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -67.72 131.48 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.81 -77.37 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 143.76 29.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 175.96 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -79.43 -40.54 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -58.03 -65.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -47.37 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -47.37 -45.96 25.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.209 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -48.52 -52.15 23.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 108.321 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' CYS . . . . . 0.53 ' SG ' ' CD1' ' B' ' 19' ' ' TYR . 1.3 t -62.91 -56.74 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 1.191 . . . . 0.0 108.358 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -39.36 -36.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . 0.523 ' OE2' ' O ' ' B' ' 73' ' ' ILE . 0.0 OUTLIER -50.6 -47.48 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' LEU . . . . . 0.588 ' CD2' ' O ' ' B' ' 71' ' ' PRO . 0.1 OUTLIER -83.84 -39.5 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' SG ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -55.95 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.39 -33.78 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.65 -143.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' ASP . . . . . 0.562 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.86 100.06 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLN . . . . . 0.68 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -51.74 -0.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.592 ' C ' ' O ' ' B' ' 23' ' ' GLN . 0.3 OUTLIER -24.03 -41.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' CYS . . . . . 0.949 ' O ' ' CG2' ' B' ' 26' ' ' VAL . 0.3 OUTLIER -47.51 -94.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' VAL . . . . . 0.949 ' CG2' ' O ' ' B' ' 25' ' ' CYS . 2.8 t 160.86 -91.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' CYS . . . . . 1.023 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -164.25 5.03 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' PRO . . . . . 1.023 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' THR . . . . . 0.58 ' OG1' ' CG ' ' B' ' 71' ' ' PRO . 0.2 OUTLIER -54.34 -41.05 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.359 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.571 ' CD2' ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -37.75 -62.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' B' ' 35' ' ' LYS . 19.9 mttt -46.59 -55.99 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -48.76 -36.02 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' B' ' 37' ' ' VAL . . . -52.23 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' ALA . . . . . 0.552 ' N ' ' CG2' ' A' ' 22' ' ' ILE . . . -65.23 -39.13 92.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.509 ' N ' ' O ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -47.34 -52.27 16.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 93.6 p -85.34 -49.68 7.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' VAL . . . . . 0.599 ' CG1' ' N ' ' B' ' 38' ' ' ARG . 2.3 t -37.24 -87.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ARG . . . . . 0.718 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.1 OUTLIER -96.19 -104.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.233 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . 0.718 ' C ' ' O ' ' B' ' 38' ' ' ARG . 0.6 OUTLIER 2.68 105.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 43' ' ' HIS . 26.3 tt0 178.16 160.32 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.25 -103.77 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -7.69 24.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 0.756 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 40' ' ' GLN . 4.9 t60 -143.21 55.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . -54.23 -117.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.582 1.176 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.37 12.24 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.519 1.8 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -122.11 175.65 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' GLN . . . . . 0.571 ' O ' ' CG2' ' B' ' 51' ' ' ILE . 53.9 mm-40 -78.23 7.35 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' SER . . . . . 0.555 ' O ' ' CG ' ' B' ' 52' ' ' TYR . 0.1 OUTLIER -65.39 -33.61 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.415 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.7 OUTLIER -36.55 -47.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -82.92 -72.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ILE . . . . . 0.664 ' O ' ' CG1' ' B' ' 54' ' ' ILE . 0.0 OUTLIER -37.0 -37.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' TYR . . . . . 0.555 ' CG ' ' O ' ' B' ' 48' ' ' SER . 0.2 OUTLIER -35.37 -53.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 54' ' ' ILE . 0.8 OUTLIER -38.26 -35.85 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' ILE . . . . . 0.664 ' CG1' ' O ' ' B' ' 51' ' ' ILE . 2.0 pp -36.8 -70.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ALA . . . . . 0.459 ' CB ' ' NE1' ' A' ' 21' ' ' TRP . . . -68.72 -165.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CD ' ' O ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER 179.76 -87.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ASN . . . . . 0.67 ' N ' ' OG1' ' B' ' 69' ' ' THR . 0.0 OUTLIER -66.65 -41.32 88.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' LEU . . . . . 0.801 ' CD2' ' CE3' ' A' ' 21' ' ' TRP . 3.0 mt 169.78 -51.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' PRO . . . . . 0.688 ' C ' ' CB ' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -74.95 152.87 98.76 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.987 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' ASN . . . . . 0.667 ' O ' ' C ' ' B' ' 61' ' ' VAL . 6.7 m-20 153.32 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' VAL . . . . . 0.667 ' C ' ' O ' ' B' ' 60' ' ' ASN . 2.8 t -14.77 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' CYS . . . . . 0.493 ' N ' ' CG1' ' B' ' 61' ' ' VAL . 89.5 m -82.37 -74.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' ASN . . . . . 0.571 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 77.2 22.21 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' MET . . . . . 0.467 ' C ' ' N ' ' B' ' 66' ' ' GLN . 20.3 mtm -100.26 92.66 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -59.38 -2.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' GLN . . . . . 0.467 ' N ' ' C ' ' B' ' 64' ' ' MET . 0.7 OUTLIER -79.72 -49.68 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' ILE . . . . . 0.605 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 0.1 OUTLIER -99.42 -61.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLY . . . . . 0.605 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 143.43 177.86 18.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.604 1.19 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' THR . . . . . 0.67 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -100.96 162.01 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 26' ' ' VAL . 0.1 OUTLIER -178.9 161.25 1.04 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PRO . . . . . 0.591 ' CD ' ' SG ' ' B' ' 27' ' ' CYS . 18.1 Cg_endo -75.12 165.09 31.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' PHE . . . . . 0.681 ' CE1' ' SG ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -81.42 152.49 27.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' ILE . . . . . 0.523 ' O ' ' OE2' ' B' ' 17' ' ' GLU . 2.0 pp -135.88 -158.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' ALA . . . . . 0.574 ' CB ' ' O ' ' A' ' 8' ' ' GLU . . . -152.53 177.19 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' ILE . . . . . 0.884 ' C ' ' OE2' ' A' ' 8' ' ' GLU . 33.1 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' GLN . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.04 129.25 12.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -39.95 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -56.66 -40.85 76.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -56.87 -68.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -38.0 51.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 11' ' ' GLN . 12.3 mmt85 -64.75 -71.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -37.19 -41.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.763 ' HZ ' ' HB2' ' B' ' 33' ' ' ALA . 2.4 t80 -52.45 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.571 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -77.38 -48.1 18.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 10.1 mm-40 -75.92 -91.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.706 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 174.2 71.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.706 ' C ' ' O ' ' A' ' 13' ' ' GLN . 28.0 m170 -5.32 113.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.451 1.095 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.34 162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 19' ' ' GLN . 33.4 mtt85 -114.96 -46.37 2.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.09 -29.17 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HB3' ' CG2' ' A' ' 22' ' ' ILE . 4.5 m -79.09 -30.99 44.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 108.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.727 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -35.08 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 mt-30 -59.13 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.03 ' CE3' HD23 ' B' ' 58' ' ' LEU . 0.1 OUTLIER -53.09 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.737 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 1.2 pp -30.09 -45.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.675 ' N ' HD12 ' A' ' 22' ' ' ILE . 65.4 ttt-85 -84.69 -69.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.3 tm0? -40.37 -40.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.6 tp60 -39.26 -38.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.882 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 27.3 mt -39.7 -48.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mp -79.16 -44.89 21.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -41.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -42.96 -43.46 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -39.68 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.493 ' HB3' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -61.21 -55.28 33.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.64 ' HB2' HG12 ' B' ' 61' ' ' VAL . 4.8 t -64.43 -46.52 82.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' B' ' 20' ' ' GLN . 3.5 m-20 -38.5 -38.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 45.4 mm-40 -64.26 -47.19 80.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.772 HD12 ' N ' ' B' ' 19' ' ' TYR . 1.5 pp -81.57 -47.41 13.1 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.772 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -53.94 -54.51 37.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -38.57 -37.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' CG ' ' B' ' 22' ' ' ASP . 0.0 OUTLIER -90.95 -150.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -98.36 120.78 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.539 ' HA ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -41.6 -20.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -40.92 -28.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.66 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 37.5 m -113.91 66.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 108.219 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.825 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 2.2 t -104.01 -85.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 0.864 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 38.9 t -66.17 -29.13 2.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.864 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -9.89 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.645 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -83.67 -36.29 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.906 ' N ' ' CD2' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.42 -47.15 13.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.8 mtmt -38.01 -57.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -54.27 -35.31 62.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.763 ' HB2' ' HZ ' ' A' ' 9' ' ' PHE . . . -57.74 -59.08 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.937 ' HB3' ' CE1' ' B' ' 52' ' ' TYR . . . -41.02 -39.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 10.2 tttp -41.25 -46.78 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.76 ' O ' HG22 ' B' ' 39' ' ' VAL . 48.8 m -78.76 -49.7 12.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.844 HG12 HD21 ' A' ' 26' ' ' LEU . 86.4 t -44.33 -79.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.701 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.8 OUTLIER -23.51 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.76 HG22 ' O ' ' B' ' 36' ' ' SER . 1.8 m 2.09 99.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.605 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -19.0 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 55.82 -82.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.397 1.061 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.1 mp0 -109.94 -2.43 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' B' ' 46' ' ' PHE . 9.0 t-80 -139.63 64.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -23.86 -91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.88 42.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.615 1.85 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.882 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -174.57 -178.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.935 ' O ' HG22 ' B' ' 51' ' ' ILE . 23.7 mt-30 -126.52 56.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -38.92 -37.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.077 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -49.98 61.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -78.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.935 HG22 ' O ' ' B' ' 47' ' ' GLN . 3.5 tp -37.84 -34.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.937 ' CE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -53.73 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.508 ' O ' ' C ' ' B' ' 54' ' ' ILE . 5.4 tm0? -59.11 -67.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 1.135 ' O ' ' O ' ' B' ' 55' ' ' ALA . 2.2 pp -32.27 -70.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 6.96 -153.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.894 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 163.29 121.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.808 ' O ' HD23 ' B' ' 58' ' ' LEU . 3.0 m-20 -20.76 -46.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 1.071 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 6.3 mt -158.78 -55.59 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 1.071 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 162.15 93.42 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.989 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.929 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 151.34 -59.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.831 HG23 ' HG ' ' B' ' 58' ' ' LEU . 78.4 t -4.82 -61.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.774 ' N ' ' O ' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -129.93 -80.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.732 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 24.7 t30 131.36 44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 2.5 ptp -143.66 99.46 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -76.76 -3.01 35.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -14.54 52.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.584 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -96.29 -58.0 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.584 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 148.25 162.23 10.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 56' ' ' LYS . 0.5 OUTLIER -158.82 155.15 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.896 ' CB ' ' HB2' ' B' ' 30' ' ' LEU . 10.2 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -75.06 128.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -39.4 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.35 -40.43 94.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.63 -60.98 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 108.246 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -52.47 -43.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' GLU . 7.1 ttp180 -64.01 -57.02 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 2.3 mm-40 -38.3 -42.66 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.842 ' CE1' ' CG ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -44.71 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.8 tt0 -76.34 -38.39 55.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -37.25 -42.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.0 -92.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.703 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 177.43 69.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.842 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER 1.13 107.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.852 ' O ' ' HB3' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -39.52 171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 12.8 mtp85 -113.52 -53.75 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -40.58 -48.19 2.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' HA ' HD21 ' B' ' 58' ' ' LEU . 84.6 m -82.15 -39.99 22.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.852 ' HB3' ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -47.17 -34.52 6.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -35.56 -74.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -59.04 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.063 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.702 HD11 HD13 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -31.97 -47.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -87.04 -70.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.656 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -37.01 -34.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 2.8 mm-40 -33.73 -40.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.48 -60.4 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 28.2 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.41 -39.98 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.406 ' HA ' ' SG ' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -45.18 -40.67 7.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.221 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 1.4 tm0? -50.44 -44.93 55.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 108.216 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -54.19 -51.74 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 3.3 m-20 -40.18 -36.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.483 ' CD ' ' C ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -72.24 -38.75 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.214 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.789 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -66.69 -49.69 65.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.78 -37.41 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.34 -37.96 65.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.24 -149.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.652 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -119.65 115.81 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.824 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.1 mp0 -54.63 -0.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.652 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -59.47 -37.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 1.031 ' O ' HG23 ' B' ' 29' ' ' THR . 13.5 m -109.47 19.44 19.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.871 HG12 ' CB ' ' B' ' 70' ' ' CYS . 2.8 t -88.44 -23.44 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 0.647 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -86.33 -45.47 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 108.271 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.728 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 Cg_endo -74.9 -4.71 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.609 1.847 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' THR . . . . . 1.031 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -72.3 -43.62 63.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 1.129 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -68.21 -49.18 62.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.625 ' N ' HD12 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -37.34 -44.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 2.7 mp0 -68.41 -41.23 80.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.83 ' HB2' ' HZ ' ' A' ' 9' ' ' PHE . . . -65.54 -45.66 82.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' B' ' 37' ' ' VAL . . . -64.99 -41.36 95.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -60.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 109.201 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -77.74 -52.75 8.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.764 ' C ' HD11 ' A' ' 26' ' ' LEU . 14.1 t -41.5 -76.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.702 ' O ' ' C ' ' B' ' 39' ' ' VAL . 4.2 ttp180 -10.9 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.702 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 t 3.33 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.675 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -8.88 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 56.02 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.2 mm-40 -123.37 -2.3 8.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 0.777 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.564 ' CG ' HD22 ' A' ' 26' ' ' LEU . 15.9 t60 -119.46 54.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.763 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -77.62 -33.72 41.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.763 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.07 149.31 36.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -91.22 141.32 28.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 10.8 pt20 177.26 -27.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.835 ' O ' ' N ' ' B' ' 52' ' ' TYR . 38.4 m -82.7 -44.29 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.919 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.433 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -36.18 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -61.32 -64.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.694 HD11 ' O ' ' B' ' 55' ' ' ALA . 0.3 OUTLIER -71.63 -40.18 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.835 ' N ' ' O ' ' B' ' 48' ' ' SER . 11.3 t80 -37.52 -36.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.44 -56.44 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.895 HG13 ' H ' ' B' ' 55' ' ' ALA . 1.7 pp -80.96 -80.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.895 ' H ' HG13 ' B' ' 54' ' ' ILE . . . 175.63 -158.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.92 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -171.01 100.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.822 ' O ' HD23 ' B' ' 58' ' ' LEU . 12.7 m-20 -35.62 -54.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 1.052 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 4.2 mt -169.34 -53.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 1.052 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -75.02 163.91 89.61 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.018 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.807 ' CB ' HD12 ' B' ' 58' ' ' LEU . 5.2 m-20 152.16 -56.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.816 HG12 ' N ' ' B' ' 62' ' ' CYS . 3.1 t 2.44 -90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.816 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.9 OUTLIER -152.89 18.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' B' ' 62' ' ' CYS . 1.7 p30 38.34 33.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.685 ' O ' ' HG3' ' B' ' 64' ' ' MET . 20.8 ptp -71.3 77.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -63.17 -3.16 1.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' MET . 3.3 mt-30 -78.59 -37.28 42.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.66 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -100.33 -63.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.66 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 146.1 164.33 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.951 ' O ' ' SG ' ' B' ' 70' ' ' CYS . 0.5 OUTLIER -85.44 119.71 26.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 0.772 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.951 ' SG ' ' O ' ' B' ' 69' ' ' THR . 74.9 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 108.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.413 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.442 ' CG ' ' HA ' ' B' ' 24' ' ' VAL . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -77.22 -39.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -43.54 -46.31 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -58.55 -72.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' HG3' ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -41.8 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -66.75 -38.91 87.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.8 mm-40 -58.39 -72.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.79 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -41.87 -38.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.486 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -67.06 -41.01 87.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.13 -37.1 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 49.9 mm-40 -59.64 -88.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.713 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 175.71 64.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.713 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -1.59 114.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.635 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.868 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -32.07 153.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.741 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 50.3 mtp180 -91.88 -64.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' ' SG ' ' B' ' 14' ' ' CYS . . . -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 78.1 m -78.69 -45.48 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 1.071 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -33.33 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -41.94 -64.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.3 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.8 OUTLIER -75.05 -70.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 108.059 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.071 HD12 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -21.82 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 1.023 ' N ' HD13 ' A' ' 22' ' ' ILE . 7.6 ttt180 -87.39 -57.58 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.1 tt0 -51.62 -38.23 53.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -37.23 -44.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 1.023 HD11 ' O ' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -69.68 -50.02 47.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 10' ' ' LEU . 7.1 mp -75.47 -42.33 53.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' B' ' 14' ' ' CYS . 2.4 ptt-85 -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.76 -40.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.605 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -44.48 -39.95 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.71 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 18' ' ' LEU . 19.2 t -56.62 -47.73 79.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.605 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 4.3 m-20 -38.71 -35.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.5 ' O ' ' CD ' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -67.92 -35.15 77.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.876 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -71.96 -47.23 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -38.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.14 -36.98 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' B' ' 18' ' ' LEU . 3.6 tp10 -88.49 -150.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.555 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 t70 -141.95 -156.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.586 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -73.77 -1.56 19.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.625 HG23 ' SG ' ' B' ' 25' ' ' CYS . 6.5 m -49.31 -44.88 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.755 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -137.57 47.88 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.86 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -79.96 -76.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.031 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -103.54 -9.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.341 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 1.031 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -3.64 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.555 1.819 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.473 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -83.29 -82.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.808 HD22 ' N ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -35.0 -44.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.808 ' N ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -41.84 -55.66 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -83.54 -37.15 23.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.79 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -57.23 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 1.023 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -32.36 -42.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.6 tptt -40.99 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' C ' ' B' ' 37' ' ' VAL . 16.1 m -84.73 -27.53 26.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.846 HG12 ' N ' ' B' ' 38' ' ' ARG . 0.9 OUTLIER -20.01 -76.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.846 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -82.8 -64.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 14.5 t -91.19 80.56 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.678 ' C ' ' H ' ' B' ' 42' ' ' GLN . 1.3 pt20 -85.44 -170.11 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.523 ' C ' ' CG ' ' B' ' 42' ' ' GLN . . . 63.78 -31.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.678 ' H ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER 179.37 106.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.31 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' B' ' 46' ' ' PHE . 37.1 t60 -71.65 41.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.606 ' O ' ' CZ ' ' B' ' 46' ' ' PHE . . . -27.85 -77.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.162 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 129.59 12.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' B' ' 43' ' ' HIS . 1.6 m-85 -114.5 163.48 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.778 ' O ' ' N ' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -68.5 -37.01 79.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -36.17 -38.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -67.69 -54.76 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' B' ' 48' ' ' SER . 1.1 tp -76.06 -33.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -34.65 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.3 tt0 -38.16 -57.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 1.084 ' CG1' ' H ' ' B' ' 55' ' ' ALA . 0.8 OUTLIER -88.77 -86.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 1.084 ' H ' ' CG1' ' B' ' 54' ' ' ILE . . . 165.75 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 1.3 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 173.13 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.991 ' HB2' HG22 ' B' ' 69' ' ' THR . 1.3 t-20 -50.41 -56.2 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 1.014 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 9.4 mt -160.35 -55.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 1.014 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.98 163.4 90.8 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.978 -0.048 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.834 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 146.64 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.914 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -17.17 -66.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.765 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 73.9 m -103.95 -92.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.765 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 44.1 t30 113.92 21.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.526 ' HE2' ' HB3' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -133.96 112.38 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -5.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -80.07 -26.52 39.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.609 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -98.41 -60.19 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.609 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 135.09 161.33 9.35 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.991 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -97.06 101.2 12.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.725 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.571 ' SG ' ' C ' ' B' ' 69' ' ' THR . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.26 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.19 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.28 -39.64 62.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -39.57 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' B' ' 24' ' ' VAL . 1.3 m -60.08 -74.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.474 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -37.83 -39.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.239 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -71.26 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HB3' ' OE1' ' B' ' 21' ' ' GLU . 7.0 mm-40 -38.14 -48.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.223 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' B' ' 33' ' ' ALA . 24.2 t80 -40.36 -66.6 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.608 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -78.86 -49.84 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.083 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -38.59 -37.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 8.7 mm-40 -76.53 -92.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.76 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 174.66 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.76 ' O ' ' O ' ' A' ' 13' ' ' GLN . 26.7 m170 -7.65 130.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.382 1.051 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.72 166.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 1.041 ' O ' ' N ' ' A' ' 19' ' ' GLN . 7.7 mtm180 -123.38 -72.05 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -29.3 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.655 ' SG ' HG22 ' B' ' 61' ' ' VAL . 83.2 m -69.65 -25.84 64.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 1.041 ' N ' ' O ' ' A' ' 16' ' ' ARG . 6.7 pt20 -31.48 -33.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -55.13 -73.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.81 ' CE3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -55.1 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.81 HG23 ' CE3' ' A' ' 21' ' ' TRP . 2.6 pp -29.07 -43.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.664 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -81.62 -48.36 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.7 tp60 -46.06 -36.77 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.06 -38.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.79 ' CD2' ' CD2' ' B' ' 43' ' ' HIS . 10.8 mt -45.52 -51.49 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' GLN . 1.6 mp -70.63 -39.45 73.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -46.78 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.24 -41.76 76.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.512 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 37.2 tt0 -48.65 -38.2 20.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 15' ' ' LEU . 2.7 t -53.08 -65.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' B' ' 18' ' ' LEU . 2.5 t -56.53 -47.83 78.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.512 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 3.8 m-20 -39.29 -35.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.661 ' CG ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -42.1 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.766 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -82.67 -51.84 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.623 ' CE1' ' CE ' ' B' ' 64' ' ' MET . 0.2 OUTLIER -40.02 -41.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.9 OUTLIER -39.28 -37.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 20' ' ' GLN . 5.4 tp10 -60.12 -132.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' B' ' 24' ' ' VAL . 22.8 t0 -134.25 150.6 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.798 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -44.0 -24.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' B' ' 22' ' ' ASP . 15.4 m -46.32 -38.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.951 ' HB3' HG23 ' B' ' 29' ' ' THR . 1.8 m -104.3 59.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.337 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.878 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.1 t -82.67 -87.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 0.986 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.6 OUTLIER -90.95 -16.79 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.324 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.986 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -8.03 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.951 HG23 ' HB3' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -75.92 -60.59 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.978 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -64.49 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.6 OUTLIER -38.34 -35.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.377 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -56.69 -43.65 80.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.633 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . . . -73.95 -50.17 21.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HE1' ' B' ' 52' ' ' TYR . . . -39.19 -43.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.568 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 8.2 tttp -50.3 -41.8 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.569 ' N ' ' O ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER -82.56 -43.26 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' B' ' 38' ' ' ARG . 98.4 t -39.41 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.7 ttt180 -36.04 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.693 ' O ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -19.6 103.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 3.1 pt20 -0.4 -112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.4 -95.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.57 -0.95 44.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 110.229 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.79 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 3.0 t-80 -137.88 67.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -20.91 -65.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.505 ' O ' ' O ' ' B' ' 43' ' ' HIS . 18.1 Cg_endo -74.93 155.16 43.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.94 138.92 39.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 1.026 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.9 OUTLIER -171.74 41.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.6 OUTLIER -66.8 -56.86 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -37.54 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.2 OUTLIER -74.78 -72.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 1.026 HG22 ' O ' ' B' ' 47' ' ' GLN . 2.4 tp -38.6 -45.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -38.65 -55.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' B' ' 54' ' ' ILE . 36.3 mt-30 -82.04 -42.3 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' B' ' 51' ' ' ILE . 1.1 mm -40.27 -82.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.751 ' CB ' ' HE1' ' A' ' 21' ' ' TRP . . . -88.21 -175.3 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.754 ' HA ' ' C ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 170.97 -11.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.788 HD21 ' N ' ' B' ' 63' ' ' ASN . 45.4 t30 -149.96 -38.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.939 ' N ' ' HA ' ' B' ' 59' ' ' PRO . 4.4 mt 161.89 -47.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.94 142.72 75.61 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.848 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 4.7 m-20 160.52 -62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 57' ' ' ASN . 2.4 t 0.8 -80.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.694 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -100.86 -57.69 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.788 ' N ' HD21 ' B' ' 57' ' ' ASN . 9.3 t-20 90.63 20.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.623 ' CE ' ' CE1' ' B' ' 19' ' ' TYR . 21.6 mtm -117.44 92.16 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -68.51 1.22 3.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' B' ' 64' ' ' MET . 1.8 pm0 -74.64 -52.57 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.569 ' CD1' ' HE3' ' B' ' 64' ' ' MET . 0.0 OUTLIER -72.09 -83.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' B' ' 26' ' ' VAL . . . 177.22 145.22 5.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.687 ' HB ' ' O ' ' B' ' 56' ' ' LYS . 1.0 OUTLIER -128.64 144.01 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.799 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 38.0 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 108.365 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.459 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 8.9 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.07 129.25 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -40.6 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HB3' ' OE2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -56.52 -41.32 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -45.6 94.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.154 . . . . 0.0 108.361 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -48.91 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.369 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -53.52 52.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.7 mt-10 -39.52 -47.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.697 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -54.29 -65.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.068 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -61.39 -39.31 90.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -38.13 -42.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.59 -93.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.7 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.8 OUTLIER 176.41 64.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.7 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 3.8 80.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.601 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.832 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -33.79 155.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.7 mtt180 -80.59 -52.89 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 11' ' ' ARG . . . -38.79 -28.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.76 ' SG ' HD23 ' A' ' 15' ' ' LEU . 4.0 m -76.1 -39.96 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 108.283 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.6 mt-30 -43.65 -43.3 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -62.0 -32.78 73.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.969 ' CD1' HG21 ' B' ' 61' ' ' VAL . 1.6 t90 -36.1 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 1.115 ' CG2' HG11 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -78.14 -52.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.639 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 66.6 ttt-85 -38.05 -51.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 8.8 tm0? -53.15 -43.43 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.218 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.73 -52.87 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.66 ' HG ' HD12 ' A' ' 22' ' ' ILE . 6.1 mt -39.67 -47.06 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' B' ' 10' ' ' LEU . 0.3 OUTLIER -78.23 -45.2 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -47.78 -42.11 25.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 16' ' ' ASN . 17.7 mt-10 -48.23 -39.8 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' B' ' 17' ' ' GLU . 84.7 mt-30 -49.32 -58.82 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.663 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -52.61 -45.38 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.618 ' HA ' HD21 ' B' ' 18' ' ' LEU . 2.1 t -59.92 -40.47 88.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' B' ' 12' ' ' GLU . 1.5 m-20 -70.07 -38.43 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 13' ' ' GLN . 11.0 mm-40 -62.4 -52.74 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.663 HD23 ' O ' ' B' ' 14' ' ' CYS . 0.6 OUTLIER -63.1 -42.52 99.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' B' ' 15' ' ' CYS . 0.4 OUTLIER -52.25 -42.28 63.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -77.3 -30.74 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.82 -150.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -123.55 121.27 35.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.6 ' HA ' HG23 ' B' ' 26' ' ' VAL . 1.2 pp0? -48.52 -13.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' SG ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -34.48 -41.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.925 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 24.1 m -120.77 55.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 108.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.797 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 1.2 t -97.11 -67.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 0.944 ' HA ' HD21 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -76.27 -32.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -74.99 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.784 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -86.17 -68.92 0.7 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -29.75 -52.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -44.04 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' B' ' 29' ' ' THR . 0.0 OUTLIER -78.29 -62.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.899 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -47.4 -48.03 26.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.801 ' HA ' HG21 ' A' ' 22' ' ' ILE . . . -44.2 -53.14 6.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.907 ' O ' HG22 ' B' ' 39' ' ' VAL . 4.7 tptt -59.06 -67.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 37' ' ' VAL . 31.1 t -54.16 -37.36 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 1.115 HG11 ' CG2' ' A' ' 22' ' ' ILE . 2.5 t -35.83 -92.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.88 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -103.83 -78.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.907 HG22 ' O ' ' B' ' 35' ' ' LYS . 0.7 OUTLIER 7.49 116.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -179.07 -115.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . -67.96 -84.49 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -9.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.546 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 49.0 t-80 -133.73 57.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.822 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -78.62 -28.05 55.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.1 Cg_endo -74.95 128.44 11.52 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.572 1.827 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.693 ' CE2' ' CE ' ' B' ' 35' ' ' LYS . 3.0 m-85 -97.67 142.53 29.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.571 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -166.0 6.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.721 ' O ' ' N ' ' B' ' 52' ' ' TYR . 68.7 m -82.45 -37.47 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.562 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -68.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.6 OUTLIER -52.96 -34.41 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -32.35 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.15 -35.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 1.215 ' O ' ' O ' ' B' ' 55' ' ' ALA . 3.0 mt -80.77 -38.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 1.215 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 10.43 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER 170.51 131.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.954 ' ND2' ' HB ' ' B' ' 61' ' ' VAL . 0.1 OUTLIER -8.44 -54.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 1.096 ' HG ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -171.35 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.97 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 156.41 99.86 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.902 -2.541 . . . . 0.0 110.974 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.972 ' CB ' HD12 ' B' ' 58' ' ' LEU . 6.5 m-20 154.97 -85.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.07 . . . . 0.0 109.333 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 1.096 HG23 ' HG ' ' B' ' 58' ' ' LEU . 45.1 t 8.86 -101.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.73 ' N ' HG12 ' B' ' 61' ' ' VAL . 1.5 m -113.75 -45.97 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.673 ' HA ' ' OD1' ' B' ' 57' ' ' ASN . 18.5 m-20 82.99 21.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.505 ' O ' ' O ' ' B' ' 68' ' ' GLY . 8.5 mmt -51.19 80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' B' ' 63' ' ' ASN . 3.0 ttpt -71.84 -1.12 13.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.06 -36.63 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.624 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.8 OUTLIER -93.77 -61.52 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.624 ' N ' HG22 ' B' ' 67' ' ' ILE . . . -176.55 -179.7 47.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.687 HG23 ' SG ' ' B' ' 70' ' ' CYS . 5.1 t -102.0 -125.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.687 ' SG ' HG23 ' B' ' 69' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.401 ' CD ' ' N ' ' A' ' 1' ' ' GLN . 2.7 mp0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.82 11.76 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.53 -42.09 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -37.79 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' B' ' 24' ' ' VAL . 8.7 t -49.72 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -53.15 18.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.516 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 17.0 mmm-85 -40.17 -42.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -64.94 -80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -38.19 -32.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 111.031 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.565 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -82.14 -40.39 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 8' ' ' GLU . 7.6 mm100 -82.46 -37.3 25.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -46.48 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 179.11 50.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 1.31 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.029 HD12 ' HG2' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -40.61 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.783 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.4 ttt-85 -113.25 -40.27 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.04 -35.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.993 ' O ' HG22 ' A' ' 22' ' ' ILE . 81.4 m -81.73 -33.01 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.248 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.94 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . 1.5 tm0? -33.29 -28.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.91 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.986 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -72.55 -60.79 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -22.02 -51.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HA ' HG11 ' B' ' 37' ' ' VAL . 0.6 OUTLIER -82.84 -52.75 6.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 34.1 tt0 -49.84 -47.8 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.542 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 1.3 tm0? -46.86 -58.66 3.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.762 HD11 ' O ' ' B' ' 34' ' ' ALA . 19.0 mt -46.5 -49.07 18.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 m95 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.508 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -71.17 -41.75 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' B' ' 14' ' ' CYS . 1.2 ptp180 -40.67 -44.62 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -41.11 -44.05 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 14.4 mm-40 -48.34 -40.99 27.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.448 ' SG ' ' HG ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -53.01 -47.61 68.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' B' ' 61' ' ' VAL . 50.5 t -68.53 -60.62 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' B' ' 15' ' ' CYS . 3.1 m-20 -40.12 -39.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 1.029 ' HG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.72 -38.12 83.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.607 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -79.11 -43.8 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -62.25 -51.87 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 19' ' ' TYR . 4.7 mt-30 -38.52 -38.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' OE2' ' A' ' 8' ' ' GLU . 6.0 tp10 -82.07 -142.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.496 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -113.87 120.21 39.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' B' ' 25' ' ' CYS . 4.5 pp0? -45.88 -16.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 26' ' ' VAL . 0.5 OUTLIER -37.21 -31.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.669 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 70.9 m -78.06 38.55 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 108.248 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.828 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.3 t -37.03 -85.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.049 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -126.33 4.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 1.049 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -10.84 21.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -83.22 -74.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 1.003 ' HG ' ' HB3' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -35.45 -38.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.686 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 13.7 mttt -40.81 -61.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 36' ' ' SER . 0.2 OUTLIER -83.73 -38.34 21.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -50.96 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.762 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -51.87 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.498 ' O ' ' C ' ' B' ' 37' ' ' VAL . 0.5 OUTLIER -85.87 -39.74 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.855 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.1 t -31.77 -84.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.855 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -92.83 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.836 HG21 ' CG ' ' B' ' 43' ' ' HIS . 6.3 m -63.55 179.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.38 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.78 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.61 1.194 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -6.3 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.836 ' CG ' HG21 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -104.44 47.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -64.46 -44.27 95.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.6 Cg_endo -74.91 128.86 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.53 ' O ' ' HB ' ' B' ' 49' ' ' THR . 3.9 m-85 -100.72 20.44 15.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.9 -14.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.884 ' HA ' HG23 ' B' ' 51' ' ' ILE . 3.2 m -75.52 -35.69 60.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -33.89 -38.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' B' ' 48' ' ' SER . 8.4 ttt180 -80.11 -59.7 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.884 HG23 ' HA ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -59.86 -42.31 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.686 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -31.77 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.5 tm0? -38.22 -36.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' B' ' 55' ' ' ALA . 11.3 pt -62.98 -59.04 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 1.069 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 14.18 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.986 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 167.93 114.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 1.001 ' HB2' HG22 ' B' ' 69' ' ' THR . 0.1 OUTLIER -35.01 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.975 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 2.7 mt -161.03 -55.16 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.975 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -75.08 164.26 88.77 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.995 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.946 ' CB ' HD12 ' B' ' 58' ' ' LEU . 0.5 OUTLIER 159.41 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.922 HG11 ' OD1' ' B' ' 57' ' ' ASN . 7.8 p 9.48 -124.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.874 ' H ' HG13 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -68.85 -91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 1.9 m-20 146.61 56.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.593 ' CG ' ' O ' ' B' ' 64' ' ' MET . 11.1 ptp -140.72 108.05 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -0.44 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -76.85 -26.65 54.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.607 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -100.72 -61.56 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.607 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 133.36 158.38 8.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' THR . . . . . 1.001 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -107.47 119.02 38.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 1.003 ' HB3' ' HG ' ' B' ' 30' ' ' LEU . 1.5 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.472 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 3.4 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.472 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -74.99 129.14 12.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.05 -53.66 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -45.24 -42.18 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.54 -60.93 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.604 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -64.63 -57.72 8.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.02 -63.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 22.7 mt-10 -36.82 -36.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.781 ' CD2' ' CE1' ' A' ' 14' ' ' HIS . 8.8 t80 -53.56 -70.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 1.9 tt0 -73.45 -38.96 65.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -36.84 -42.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.62 -93.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 1.002 ' O ' ' O ' ' A' ' 14' ' ' HIS . 1.8 mt-30 178.93 73.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 1.002 ' O ' ' O ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -4.0 139.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.775 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.96 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 19' ' ' GLN . 2.4 mtt180 -116.5 -64.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.03 -35.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.79 -39.88 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -48.26 -32.89 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -39.77 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.869 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -53.19 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.011 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.659 HG12 ' CH2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -30.26 -48.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -88.21 -64.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.8 tp60 -39.85 -36.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG3' HD11 ' B' ' 51' ' ' ILE . 4.7 tm0? -35.38 -39.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.793 HD13 ' HB2' ' B' ' 43' ' ' HIS . 4.3 mt -56.41 -50.74 70.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -40.9 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -53.69 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 16' ' ' ASN . 14.5 mt-10 -40.78 -42.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 12.7 tt0 -45.89 -48.4 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -51.23 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.585 1.178 . . . . 0.0 108.265 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -67.68 -61.17 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.516 ' N ' ' SG ' ' B' ' 15' ' ' CYS . 3.0 m-20 -37.38 -35.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -79.76 -38.77 32.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.971 HD13 HG11 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -83.63 -53.29 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -33.58 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 18' ' ' LEU . 1.1 mm-40 -54.06 -36.87 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -81.05 -151.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.705 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -130.02 113.76 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 1.002 ' HA ' ' HB ' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -50.09 -6.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.631 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -39.31 -42.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 1.07 ' O ' HG23 ' B' ' 29' ' ' THR . 18.4 m -131.57 3.32 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 1.002 ' HB ' ' HA ' ' B' ' 23' ' ' GLN . 26.7 t -84.28 -24.11 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 0.645 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.8 OUTLIER -86.84 -45.12 0.54 Allowed Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 108.29 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' THR . . . . . 1.07 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -65.19 -38.19 89.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.809 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -48.34 -52.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HB2' ' CD2' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -40.6 -38.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.07 -43.4 78.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.808 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -57.97 -38.65 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 38' ' ' ARG . . . -64.97 -39.27 93.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 0.9 OUTLIER -37.75 -58.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.0 m -69.61 -51.21 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 33' ' ' ALA . 29.1 t -53.73 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.693 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -13.02 -73.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.693 ' C ' ' O ' ' B' ' 38' ' ' ARG . 54.1 t 0.9 81.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 2.6 tt0 0.65 -109.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 45.01 -94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -83.28 -4.46 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.793 ' HB2' HD13 ' A' ' 26' ' ' LEU . 5.8 t-160 -118.18 54.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.623 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.634 ' O ' ' CE1' ' B' ' 46' ' ' PHE . . . -32.46 -55.99 0.45 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.3 Cg_endo -74.89 150.62 38.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' B' ' 44' ' ' GLY . 1.0 OUTLIER -115.92 139.57 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 1.055 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -174.73 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.683 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.7 OUTLIER -55.54 -56.89 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -38.72 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' B' ' 53' ' ' GLN . 0.4 OUTLIER -81.18 -72.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 1.055 HG22 ' O ' ' B' ' 47' ' ' GLN . 1.2 tp -36.44 -36.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' B' ' 48' ' ' SER . 3.4 m-30 -63.16 -52.68 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 50' ' ' ARG . 3.2 tm0? -81.42 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.709 ' CG1' ' HA ' ' B' ' 51' ' ' ILE . 2.0 pp -36.08 -69.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.662 ' H ' HG13 ' B' ' 54' ' ' ILE . . . -60.27 174.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.767 ' O ' ' HA ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 177.74 -100.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.924 ' HA ' ' O ' ' B' ' 69' ' ' THR . 2.0 t-20 -53.73 -45.36 70.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.892 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 1.9 mt 174.4 -52.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.892 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 150.88 96.18 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.992 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.889 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 5.0 m-20 155.11 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.809 HG12 ' N ' ' B' ' 62' ' ' CYS . 2.0 t 2.5 -82.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.223 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.809 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -92.6 -90.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 108.32 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 16.6 m-20 144.75 46.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -135.29 90.28 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.84 -3.15 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' B' ' 67' ' ' ILE . 1.7 pt20 -70.92 -41.11 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -122.31 -58.05 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 109.76 144.28 10.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.924 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 36.2 m -135.57 91.39 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.767 ' HA ' ' O ' ' B' ' 56' ' ' LYS . 1.9 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.367 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 1' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.488 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.96 129.25 12.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.68 -43.78 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.83 -39.82 74.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.489 ' SG ' HG13 ' B' ' 24' ' ' VAL . 1.5 m -56.94 -66.78 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -38.28 -39.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -75.39 -64.25 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -39.09 -39.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 28.9 t80 -45.67 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -79.16 -40.16 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -51.51 -36.4 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 6.0 mm-40 -74.32 -90.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.697 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 173.96 72.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.225 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.697 ' C ' ' O ' ' A' ' 13' ' ' GLN . 21.3 m170 -7.18 120.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 109.547 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.08 174.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 18' ' ' CYS . 69.6 mtm-85 -119.05 -72.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' C ' ' N ' ' A' ' 19' ' ' GLN . . . -34.75 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' SG ' HD23 ' A' ' 15' ' ' LEU . 50.7 m -42.04 -25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 3.8 mm-40 -35.58 -50.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 23' ' ' ARG . 3.7 mt-30 -57.72 -39.52 77.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.927 ' CH2' ' O ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER -41.45 -67.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.822 ' C ' HD12 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -77.71 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 3.6 ttt180 -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 5.9 tt0 -54.76 -41.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -48.99 -55.26 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.779 HD22 ' CD2' ' B' ' 43' ' ' HIS . 11.3 mt -60.12 -42.59 95.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.78 -49.94 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.484 ' CZ ' ' OE1' ' B' ' 12' ' ' GLU . 21.7 ptt85 -52.87 -43.88 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' GLU . . . . . 0.484 ' OE1' ' CZ ' ' B' ' 11' ' ' ARG . 0.3 OUTLIER -71.92 -40.58 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 13' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 17' ' ' GLU . 1.5 mm100 -47.86 -55.07 10.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -48.46 74.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.644 ' HB2' HG13 ' B' ' 61' ' ' VAL . 2.4 t -58.22 -38.89 77.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' B' ' 12' ' ' GLU . 1.5 m-20 -71.09 -37.68 72.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -56.67 -39.01 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.874 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -39.22 44.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.451 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.3 OUTLIER -58.64 -71.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -39.63 -35.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' B' ' 20' ' ' GLN . 0.6 OUTLIER -60.4 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.495 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -115.12 116.89 29.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -47.05 -15.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.495 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -36.97 -31.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.59 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 81.8 m -96.87 55.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.756 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.4 t -33.53 -83.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.004 ' N ' ' HD3' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -138.86 22.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 1.004 ' HD3' ' N ' ' B' ' 27' ' ' CYS . 18.3 Cg_endo -74.99 -25.64 11.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.457 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.3 OUTLIER -67.01 -74.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -36.0 -39.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -38.49 -55.22 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -81.86 -48.57 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.722 ' HB3' ' HA ' ' B' ' 30' ' ' LEU . . . -42.32 -49.61 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' B' ' 35' ' ' LYS . . . -74.81 -41.19 60.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 13.8 tptm -39.06 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.499 ' O ' HG22 ' B' ' 39' ' ' VAL . 19.7 m -80.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.81 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -50.82 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.81 ' N ' HG12 ' B' ' 37' ' ' VAL . 1.1 mmt180 -23.02 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.692 ' C ' ' O ' ' B' ' 38' ' ' ARG . 2.5 m -7.34 109.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' B' ' 39' ' ' VAL . 12.0 tm0? -34.28 150.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.1 -43.5 0.63 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -125.53 -3.83 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.779 ' CD2' HD22 ' A' ' 26' ' ' LEU . 43.3 t-80 -149.9 59.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.557 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . 33.93 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 40' ' ' GLN . 18.3 Cg_endo -75.02 157.75 42.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.55 1.816 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -156.28 145.9 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.7 OUTLIER -87.83 41.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.677 ' O ' ' N ' ' B' ' 52' ' ' TYR . 76.0 p -67.64 -53.2 29.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.477 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -32.38 -37.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -82.99 -72.36 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.764 HG23 ' HE3' ' B' ' 56' ' ' LYS . 4.4 tp -51.06 -38.83 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.677 ' N ' ' O ' ' B' ' 48' ' ' SER . 19.8 t80 -40.59 -33.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 52' ' ' TYR . 2.9 tm0? -35.69 -72.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 1.034 HG23 ' H ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -80.35 -77.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 1.077 ' HB3' HG23 ' B' ' 69' ' ' THR . . . -178.37 -147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.927 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -178.63 86.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.982 ' O ' HG23 ' B' ' 61' ' ' VAL . 2.8 m-20 -35.68 -56.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.968 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.3 OUTLIER 172.05 -53.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.968 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.1 Cg_endo -75.12 160.41 96.49 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.932 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.807 ' HB2' ' CB ' ' B' ' 58' ' ' LEU . 1.5 m120 160.64 -68.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 0.982 HG12 ' SG ' ' B' ' 62' ' ' CYS . 58.0 t 0.35 -106.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.982 ' SG ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -122.74 7.6 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.52 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER 44.21 38.64 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.535 ' CG ' ' SG ' ' B' ' 62' ' ' CYS . 0.3 OUTLIER -66.84 81.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 12.7 tttm -72.65 -1.78 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.68 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.477 ' H ' HD13 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -79.22 -83.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.91 33.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 69' ' ' THR . . . . . 1.077 HG23 ' HB3' ' B' ' 55' ' ' ALA . 0.5 OUTLIER -81.76 -169.81 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.433 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.832 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 1.3 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.402 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -75.09 130.68 13.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.47 -33.43 64.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.0 mtmm -36.56 -51.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -63.45 -76.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -36.79 -38.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 ttt-85 -78.52 -46.68 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -40.53 -40.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 110.231 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' B' ' 33' ' ' ALA . 3.1 t80 -34.83 -68.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG3' ' CE1' ' A' ' 14' ' ' HIS . 2.2 tt0 -85.18 -36.54 20.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -50.94 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.729 ' CG ' ' H ' ' A' ' 13' ' ' GLN . 1.1 pt-20 -73.66 -87.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.729 ' H ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 mt-30 171.99 72.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.688 ' C ' ' O ' ' A' ' 13' ' ' GLN . 2.0 m-70 10.17 87.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.802 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -27.11 148.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.753 ' O ' ' N ' ' A' ' 19' ' ' GLN . 21.3 mtt-85 -103.23 -52.02 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.38 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.649 ' O ' ' N ' ' A' ' 21' ' ' TRP . 63.5 m -58.45 -27.68 64.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -35.88 -39.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -75.2 -37.57 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 1.131 ' CD1' HG21 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -53.39 -51.7 61.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.98 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.97 HG21 HG21 ' B' ' 37' ' ' VAL . 2.4 pp -75.76 -57.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.763 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -37.25 -57.48 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLN . . . . . 0.57 ' CG ' HD13 ' B' ' 58' ' ' LEU . 1.1 tt0 -49.51 -36.65 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -49.88 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' CD ' ' B' ' 38' ' ' ARG . 3.8 mt -49.12 -48.35 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.71 -40.78 61.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -55.21 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.39 -41.09 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -53.4 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -52.72 -38.47 60.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' B' ' 61' ' ' VAL . 49.8 t -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.745 ' O ' ' N ' ' B' ' 20' ' ' GLN . 2.2 m-20 -55.75 -36.17 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 38.4 mm-40 -48.73 -47.25 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.892 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.83 -42.52 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.631 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -69.36 -35.23 75.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' B' ' 16' ' ' ASN . 1.2 mt-30 -37.3 -40.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 24' ' ' VAL . 3.1 tp10 -101.72 -146.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.54 ' C ' HG23 ' B' ' 26' ' ' VAL . 0.4 OUTLIER -125.79 -154.23 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.627 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.8 pt20 -48.28 -22.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 21' ' ' GLU . 1.0 OUTLIER -47.47 -54.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 0.594 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 1.3 p -127.2 39.66 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 0.894 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -63.89 -77.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.084 ' H ' ' HD3' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -120.54 1.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 108.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 1.084 ' HD3' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -75.06 -13.19 21.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -72.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -40.79 -38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' B' ' 52' ' ' TYR . 21.6 mtpt -39.21 -67.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -73.41 -46.46 48.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' B' ' 30' ' ' LEU . . . -39.31 -44.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.627 ' HA ' ' HB ' ' B' ' 37' ' ' VAL . . . -72.39 -36.37 68.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.803 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -33.76 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 30.5 m -59.6 -37.88 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.97 HG21 HG21 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -36.19 -69.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.887 ' CD ' HD11 ' A' ' 26' ' ' LEU . 6.1 mmp_? -95.75 -103.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 39' ' ' VAL . 1.1 m 12.11 51.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' B' ' 38' ' ' ARG . 15.9 tm0? 175.68 156.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . 64.67 -140.05 42.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.36 -7.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.971 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 61.4 t-80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.615 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.979 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -82.09 -10.0 84.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' PRO . . . . . 0.979 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.05 129.43 12.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -94.49 154.29 17.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.43 ' O ' HG23 ' B' ' 51' ' ' ILE . 0.0 OUTLIER 178.23 -23.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.658 ' OG ' ' CE1' ' B' ' 52' ' ' TYR . 1.4 p -38.78 -35.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.79 -53.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -62.92 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.897 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -41.35 -35.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.658 ' CE1' ' OG ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -32.64 -46.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.15 -39.7 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 1.073 ' O ' ' O ' ' B' ' 55' ' ' ALA . 4.8 mm -77.57 -45.28 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 1.073 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 12.16 -155.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.268 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.673 ' HA ' HG23 ' B' ' 69' ' ' THR . 0.0 OUTLIER 168.78 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.904 ' O ' HD23 ' B' ' 58' ' ' LEU . 1.0 OUTLIER -25.27 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 0.936 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.9 OUTLIER -158.21 -54.77 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.936 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 160.57 96.35 Favored 'Cis proline' 0 C--N 1.359 1.099 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.0 0.021 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.741 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 1.3 m120 151.61 -59.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 1.131 HG21 ' CD1' ' A' ' 21' ' ' TRP . 3.2 t -22.61 -86.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.741 ' N ' HG12 ' B' ' 61' ' ' VAL . 80.5 m -115.32 -32.42 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.465 ' H ' ' ND2' ' B' ' 57' ' ' ASN . 32.9 m-20 64.87 30.72 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.62 ' HE3' ' CE1' ' B' ' 19' ' ' TYR . 28.5 mtm -114.62 94.1 4.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 4.49 20.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -63.31 -26.0 68.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.59 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -116.71 -60.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.59 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 175.63 149.32 7.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.673 HG23 ' HA ' ' B' ' 56' ' ' LYS . 1.4 t -143.49 123.54 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.957 ' HB2' HD23 ' B' ' 30' ' ' LEU . 61.2 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 108.348 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLN . . . . . 0.4 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 2.7 tp60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.3 Cg_endo -74.93 129.19 12.17 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.32 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -42.88 -40.48 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -46.18 -45.2 16.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -61.44 -59.25 5.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 11' ' ' GLN . 4.7 mm-40 -40.34 -48.4 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -46.79 -61.86 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.1 tt0 -68.28 -37.07 80.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -36.56 -38.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.173 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -92.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER 176.88 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 24.0 m170 1.3 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.823 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.2 161.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.77 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 34.1 mtm180 -109.93 -44.05 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.16 -36.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' B' ' 61' ' ' VAL . 99.4 m -84.04 -38.95 20.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 22' ' ' ILE . 2.3 pt20 -36.1 -37.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.66 -53.48 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.9 ' CZ2' HD23 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.38 -51.2 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 108.038 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 19' ' ' GLN . 11.4 mt -35.37 -47.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.73 -56.87 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -45.51 -39.85 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' OE1' HD11 ' B' ' 54' ' ' ILE . 0.0 OUTLIER -39.81 -50.28 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 HG12 ' B' ' 39' ' ' VAL . 13.3 mt -43.57 -47.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' LEU . . . . . 0.562 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -79.43 -40.54 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -58.03 -65.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -47.37 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -47.37 -45.96 25.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.209 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -48.52 -52.15 23.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' CYS . . . . . 0.53 ' SG ' ' CD1' ' B' ' 19' ' ' TYR . 1.3 t -62.91 -56.74 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 1.191 . . . . 0.0 108.358 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' CYS . 3.3 m-20 -39.36 -36.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLU . . . . . 0.758 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -50.6 -47.48 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 18' ' ' LEU . . . . . 0.784 ' O ' HD12 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -83.84 -39.5 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' SG ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -55.95 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.39 -33.78 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -74.65 -143.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 22' ' ' ASP . . . . . 0.706 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.86 100.06 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 23' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -51.74 -0.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.706 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.3 OUTLIER -24.03 -41.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 25' ' ' CYS . . . . . 1.25 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -47.51 -94.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 26' ' ' VAL . . . . . 1.25 HG23 ' O ' ' B' ' 25' ' ' CYS . 2.8 t 160.86 -91.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' CYS . . . . . 1.335 ' H ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -164.25 5.03 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 28' ' ' PRO . . . . . 1.335 ' CD ' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' THR . . . . . 0.525 HG23 ' SG ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -54.34 -41.05 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.359 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.9 HD23 ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -37.75 -62.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.749 ' HA ' ' CE2' ' B' ' 52' ' ' TYR . 19.9 mttt -46.59 -55.99 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLN . . . . . 0.572 ' HA ' ' HB3' ' B' ' 35' ' ' LYS . 0.3 OUTLIER -48.76 -36.02 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' B' ' 30' ' ' LEU . . . -52.23 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' ALA . . . . . 0.648 ' HB3' ' OH ' ' B' ' 52' ' ' TYR . . . -65.23 -39.13 92.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.581 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -47.34 -52.27 16.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 93.6 p -85.34 -49.68 7.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' VAL . . . . . 0.857 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -37.24 -87.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ARG . . . . . 0.857 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.1 OUTLIER -96.19 -104.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.233 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.718 ' C ' ' O ' ' B' ' 38' ' ' ARG . 0.6 OUTLIER 2.68 105.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 43' ' ' HIS . 26.3 tt0 178.16 160.32 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.25 -103.77 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -7.69 24.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 0.756 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 40' ' ' GLN . 4.9 t60 -143.21 55.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 44' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . -54.23 -117.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.582 1.176 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.37 12.24 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.519 1.8 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -122.11 175.65 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' GLN . . . . . 0.624 ' O ' HG22 ' B' ' 51' ' ' ILE . 53.9 mm-40 -78.23 7.35 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' SER . . . . . 0.9 ' HA ' HG23 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -65.39 -33.61 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 49' ' ' THR . . . . . 0.451 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -36.55 -47.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -82.92 -72.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ILE . . . . . 0.906 HD13 ' N ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.0 -37.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 52' ' ' TYR . . . . . 0.906 ' N ' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -35.37 -53.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 53' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 54' ' ' ILE . 0.8 OUTLIER -38.26 -35.85 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 54' ' ' ILE . . . . . 0.698 HD12 ' N ' ' B' ' 55' ' ' ALA . 2.0 pp -36.8 -70.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ALA . . . . . 0.698 ' N ' HD12 ' B' ' 54' ' ' ILE . . . -68.72 -165.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' B' ' 54' ' ' ILE . 0.0 OUTLIER 179.76 -87.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ASN . . . . . 0.835 ' O ' ' HG ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -66.65 -41.32 88.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 58' ' ' LEU . . . . . 1.0 ' HG ' HG23 ' B' ' 61' ' ' VAL . 3.0 mt 169.78 -51.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 59' ' ' PRO . . . . . 0.898 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -74.95 152.87 98.76 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.987 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 60' ' ' ASN . . . . . 0.809 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 6.7 m-20 153.32 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 61' ' ' VAL . . . . . 1.0 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -14.77 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' CYS . . . . . 0.749 ' N ' HG12 ' B' ' 61' ' ' VAL . 89.5 m -82.37 -74.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 77.2 22.21 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 64' ' ' MET . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' GLN . 20.3 mtm -100.26 92.66 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -59.38 -2.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 66' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.7 OUTLIER -79.72 -49.68 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 67' ' ' ILE . . . . . 0.614 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.1 OUTLIER -99.42 -61.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLY . . . . . 0.614 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 143.43 177.86 18.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.604 1.19 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' THR . . . . . 0.67 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -100.96 162.01 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 70' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 26' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' GLN . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.04 129.25 12.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -39.95 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -56.66 -40.85 76.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -56.87 -68.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -38.0 51.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 11' ' ' GLN . 12.3 mmt85 -64.75 -71.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -37.19 -41.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.763 ' HZ ' ' HB2' ' B' ' 33' ' ' ALA . 2.4 t80 -52.45 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.571 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -77.38 -48.1 18.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 10.1 mm-40 -75.92 -91.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.706 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 174.2 71.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.706 ' C ' ' O ' ' A' ' 13' ' ' GLN . 28.0 m170 -5.32 113.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.451 1.095 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.34 162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 19' ' ' GLN . 33.4 mtt85 -114.96 -46.37 2.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.09 -29.17 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HB3' ' CG2' ' A' ' 22' ' ' ILE . 4.5 m -79.09 -30.99 44.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 108.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.727 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -35.08 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 mt-30 -59.13 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.03 ' CE3' HD23 ' B' ' 58' ' ' LEU . 0.1 OUTLIER -53.09 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.906 HD13 HD12 ' B' ' 73' ' ' ILE . 1.2 pp -30.09 -45.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.675 ' N ' HD12 ' A' ' 22' ' ' ILE . 65.4 ttt-85 -84.69 -69.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.3 tm0? -40.37 -40.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.6 tp60 -39.26 -38.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.882 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 27.3 mt -39.7 -48.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.16 166.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.82 48.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.8 p -174.12 88.44 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 0.735 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 134.72 18.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' B' ' 1' ' ' GLN . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -65.66 148.13 52.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.91 64.2 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 134.82 18.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -165.05 152.64 11.23 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.4 84.49 0.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.2 42.35 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.48 29.67 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mp -79.16 -44.89 21.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -41.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -42.96 -43.46 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -39.68 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.493 ' HB3' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -61.21 -55.28 33.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.64 ' HB2' HG12 ' B' ' 61' ' ' VAL . 4.8 t -64.43 -46.52 82.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' B' ' 20' ' ' GLN . 3.5 m-20 -38.5 -38.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 45.4 mm-40 -64.26 -47.19 80.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.772 HD12 ' N ' ' B' ' 19' ' ' TYR . 1.5 pp -81.57 -47.41 13.1 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.772 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -53.94 -54.51 37.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -38.57 -37.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' CG ' ' B' ' 22' ' ' ASP . 0.0 OUTLIER -90.95 -150.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -98.36 120.78 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.539 ' HA ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -41.6 -20.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -40.92 -28.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.66 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 37.5 m -113.91 66.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 108.219 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.825 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 2.2 t -104.01 -85.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 0.864 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 38.9 t -66.17 -29.13 2.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.864 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -9.89 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.645 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -83.67 -36.29 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.175 HD13 ' CG ' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -81.42 -47.15 13.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.8 mtmt -38.01 -57.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -54.27 -35.31 62.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.857 ' HB1' ' C ' ' B' ' 72' ' ' PHE . . . -57.74 -59.08 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.937 ' HB3' ' CE1' ' B' ' 52' ' ' TYR . . . -41.02 -39.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 10.2 tttp -41.25 -46.78 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.76 ' O ' HG22 ' B' ' 39' ' ' VAL . 48.8 m -78.76 -49.7 12.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.982 HG22 HD13 ' B' ' 73' ' ' ILE . 86.4 t -44.33 -79.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.701 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.8 OUTLIER -23.51 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.76 HG22 ' O ' ' B' ' 36' ' ' SER . 1.8 m 2.09 99.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.605 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -19.0 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 55.82 -82.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.397 1.061 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.1 mp0 -109.94 -2.43 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' B' ' 46' ' ' PHE . 9.0 t-80 -139.63 64.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -23.86 -91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.88 42.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.615 1.85 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.882 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -174.57 -178.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.935 ' O ' HG22 ' B' ' 51' ' ' ILE . 23.7 mt-30 -126.52 56.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -38.92 -37.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.077 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -49.98 61.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -78.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.935 HG22 ' O ' ' B' ' 47' ' ' GLN . 3.5 tp -37.84 -34.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.937 ' CE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -53.73 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.508 ' O ' ' C ' ' B' ' 54' ' ' ILE . 5.4 tm0? -59.11 -67.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 1.135 ' O ' ' O ' ' B' ' 55' ' ' ALA . 2.2 pp -32.27 -70.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 6.96 -153.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.894 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 163.29 121.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.808 ' O ' HD23 ' B' ' 58' ' ' LEU . 3.0 m-20 -20.76 -46.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.352 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 1.071 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 6.3 mt -158.78 -55.59 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 1.071 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 162.15 93.42 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.989 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.929 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 151.34 -59.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.831 HG23 ' HG ' ' B' ' 58' ' ' LEU . 78.4 t -4.82 -61.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.774 ' N ' ' O ' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -129.93 -80.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.732 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 24.7 t30 131.36 44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 2.5 ptp -143.66 99.46 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -76.76 -3.01 35.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -14.54 52.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.584 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -96.29 -58.0 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.584 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 148.25 162.23 10.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 56' ' ' LYS . 0.5 OUTLIER -158.82 155.15 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.896 ' CB ' ' HB2' ' B' ' 30' ' ' LEU . 10.2 m -168.79 175.52 1.72 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.994 ' C ' ' HB3' ' B' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 127.3 10.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 1.175 ' CG ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -97.3 -161.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.982 HD13 HG22 ' B' ' 37' ' ' VAL . 7.3 tp -165.75 169.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' A' ' 19' ' ' GLN . . . -130.08 175.36 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -75.06 128.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -39.4 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.35 -40.43 94.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.63 -60.98 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 108.246 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -52.47 -43.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' GLU . 7.1 ttp180 -64.01 -57.02 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 2.3 mm-40 -38.3 -42.66 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.842 ' CE1' ' CG ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -44.71 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.414 ' O ' ' C ' ' A' ' 11' ' ' GLN . 1.8 tt0 -76.34 -38.39 55.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.711 ' OE1' ' C ' ' B' ' 75' ' ' ILE . 0.0 OUTLIER -37.25 -42.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' CG ' ' HB3' ' B' ' 74' ' ' ALA . 0.5 OUTLIER -84.0 -92.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.703 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 177.43 69.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.842 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 0.4 OUTLIER 1.13 107.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.852 ' O ' ' HB3' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -39.52 171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 12.8 mtp85 -113.52 -53.75 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -40.58 -48.19 2.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.696 ' SG ' ' CE2' ' B' ' 72' ' ' PHE . 84.6 m -82.15 -39.99 22.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.852 ' HB3' ' O ' ' A' ' 15' ' ' LEU . 0.1 OUTLIER -47.17 -34.52 6.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -35.56 -74.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -59.04 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.063 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.702 HD11 HD13 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -31.97 -47.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -87.04 -70.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.656 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -37.01 -34.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 2.8 mm-40 -33.73 -40.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.48 -60.4 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -154.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.7 -55.64 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.42 1.075 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 167.58 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.53 15.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -73.98 109.2 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.43 -84.14 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.46 36.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -137.16 71.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -73.04 90.56 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.24 89.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.486 ' O ' ' CD1' ' B' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 138.83 23.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' B' ' 8' ' ' PRO . 28.2 m0 -142.3 45.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.41 -39.98 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.406 ' HA ' ' SG ' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -45.18 -40.67 7.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.221 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 1.4 tm0? -50.44 -44.93 55.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.657 ' O ' ' CE2' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -51.53 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 108.216 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -54.19 -51.74 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 3.3 m-20 -40.18 -36.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.594 ' HG3' ' CD2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -72.24 -38.75 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.214 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.789 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -66.69 -49.69 65.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.78 -37.41 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.34 -37.96 65.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.24 -149.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.652 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -119.65 115.81 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.824 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.1 mp0 -54.63 -0.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.652 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -59.47 -37.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 1.031 ' O ' HG23 ' B' ' 29' ' ' THR . 13.5 m -109.47 19.44 19.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.943 HG13 ' O ' ' B' ' 71' ' ' PRO . 2.8 t -88.44 -23.44 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 0.647 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -86.33 -45.47 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 108.271 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.728 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 Cg_endo -74.9 -4.71 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.609 1.847 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' THR . . . . . 1.031 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -72.3 -43.62 63.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.129 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -68.21 -49.18 62.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.625 ' N ' HD12 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -37.34 -44.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 2.7 mp0 -68.41 -41.23 80.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.83 ' HB2' ' HZ ' ' A' ' 9' ' ' PHE . . . -65.54 -45.66 82.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' B' ' 37' ' ' VAL . . . -64.99 -41.36 95.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -60.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 109.201 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -77.74 -52.75 8.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.764 ' C ' HD11 ' A' ' 26' ' ' LEU . 14.1 t -41.5 -76.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.702 ' O ' ' C ' ' B' ' 39' ' ' VAL . 4.2 ttp180 -10.9 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.702 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 t 3.33 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.675 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -8.88 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 56.02 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.2 mm-40 -123.37 -2.3 8.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 0.777 . . . . 0.0 110.269 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.564 ' CG ' HD22 ' A' ' 26' ' ' LEU . 15.9 t60 -119.46 54.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.763 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -77.62 -33.72 41.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.763 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.07 149.31 36.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -91.22 141.32 28.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 10.8 pt20 177.26 -27.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.835 ' O ' ' N ' ' B' ' 52' ' ' TYR . 38.4 m -82.7 -44.29 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.919 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.433 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -36.18 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -61.32 -64.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.694 HD11 ' O ' ' B' ' 55' ' ' ALA . 0.3 OUTLIER -71.63 -40.18 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.835 ' N ' ' O ' ' B' ' 48' ' ' SER . 11.3 t80 -37.52 -36.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.44 -56.44 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.895 HG13 ' H ' ' B' ' 55' ' ' ALA . 1.7 pp -80.96 -80.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.895 ' H ' HG13 ' B' ' 54' ' ' ILE . . . 175.63 -158.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.92 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -171.01 100.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.822 ' O ' HD23 ' B' ' 58' ' ' LEU . 12.7 m-20 -35.62 -54.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 1.052 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 4.2 mt -169.34 -53.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 1.052 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -75.02 163.91 89.61 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.018 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.807 ' CB ' HD12 ' B' ' 58' ' ' LEU . 5.2 m-20 152.16 -56.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.816 HG12 ' N ' ' B' ' 62' ' ' CYS . 3.1 t 2.44 -90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.816 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.9 OUTLIER -152.89 18.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' B' ' 62' ' ' CYS . 1.7 p30 38.34 33.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.685 ' O ' ' HG3' ' B' ' 64' ' ' MET . 20.8 ptp -71.3 77.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -63.17 -3.16 1.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' MET . 3.3 mt-30 -78.59 -37.28 42.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.66 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -100.33 -63.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.66 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 146.1 164.33 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.951 ' O ' ' SG ' ' B' ' 70' ' ' CYS . 0.5 OUTLIER -85.44 119.71 26.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 0.772 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.951 ' SG ' ' O ' ' B' ' 69' ' ' THR . 74.9 m -175.64 140.7 0.6 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 108.37 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.943 ' O ' HG13 ' B' ' 26' ' ' VAL . 18.1 Cg_endo -75.05 166.93 28.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.788 ' CD1' ' CB ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -125.01 -176.73 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 15' ' ' LEU . 10.5 pt -147.73 174.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.441 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . . . -104.67 -165.52 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.095 . . . . 0.0 109.227 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.711 ' C ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.413 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' CG ' ' HA ' ' B' ' 24' ' ' VAL . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -77.22 -39.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -43.54 -46.31 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -58.55 -72.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' HG3' ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -41.8 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -66.75 -38.91 87.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.8 mm-40 -58.39 -72.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.79 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -41.87 -38.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.486 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -67.06 -41.01 87.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.13 -37.1 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.723 ' OE1' HG23 ' B' ' 75' ' ' ILE . 49.9 mm-40 -59.64 -88.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.713 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.0 OUTLIER 175.71 64.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.713 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -1.59 114.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.635 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.95 HD12 ' CE1' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -32.07 153.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.741 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 50.3 mtp180 -91.88 -64.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' ' SG ' ' B' ' 14' ' ' CYS . . . -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.608 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 78.1 m -78.69 -45.48 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 1.071 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -33.33 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -41.94 -64.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.3 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.8 OUTLIER -75.05 -70.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 108.059 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.071 HD12 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -21.82 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 1.023 ' N ' HD13 ' A' ' 22' ' ' ILE . 7.6 ttt180 -87.39 -57.58 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.1 tt0 -51.62 -38.23 53.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -37.23 -44.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 1.023 HD11 ' O ' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -69.68 -50.02 47.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -46.3 147.94 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.86 49.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 m -125.98 156.14 72.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -121.7 75.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.79 169.56 21.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 137.98 22.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.568 1.825 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.92 132.42 47.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.7 109.39 19.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.62 -72.25 0.2 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 157.43 42.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -126.37 86.82 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 107.973 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 10' ' ' LEU . 7.1 mp -75.47 -42.33 53.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' B' ' 14' ' ' CYS . 2.4 ptt-85 -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 15.5 tt0 -40.76 -40.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.605 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -44.48 -39.95 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.71 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 18' ' ' LEU . 19.2 t -56.62 -47.73 79.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.605 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 4.3 m-20 -38.71 -35.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.795 ' HG2' ' CE1' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -67.92 -35.15 77.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.876 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -71.96 -47.23 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -38.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.14 -36.98 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' B' ' 18' ' ' LEU . 3.6 tp10 -88.49 -150.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.555 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 t70 -141.95 -156.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.586 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -73.77 -1.56 19.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.625 HG23 ' SG ' ' B' ' 25' ' ' CYS . 6.5 m -49.31 -44.88 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.755 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -137.57 47.88 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.86 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -79.96 -76.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.031 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -103.54 -9.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.341 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 1.031 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -3.64 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.555 1.819 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.473 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -83.29 -82.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.808 HD22 ' N ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -35.0 -44.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.808 ' N ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -41.84 -55.66 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -83.54 -37.15 23.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.79 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -57.23 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 1.023 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -32.36 -42.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.6 tptt -40.99 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' C ' ' B' ' 37' ' ' VAL . 16.1 m -84.73 -27.53 26.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.846 HG12 ' N ' ' B' ' 38' ' ' ARG . 0.9 OUTLIER -20.01 -76.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.846 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -82.8 -64.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 14.5 t -91.19 80.56 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.678 ' C ' ' H ' ' B' ' 42' ' ' GLN . 1.3 pt20 -85.44 -170.11 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.523 ' C ' ' CG ' ' B' ' 42' ' ' GLN . . . 63.78 -31.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.678 ' H ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER 179.37 106.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.31 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' B' ' 46' ' ' PHE . 37.1 t60 -71.65 41.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.606 ' O ' ' CZ ' ' B' ' 46' ' ' PHE . . . -27.85 -77.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.162 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 129.59 12.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' B' ' 43' ' ' HIS . 1.6 m-85 -114.5 163.48 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.778 ' O ' ' N ' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -68.5 -37.01 79.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -36.17 -38.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -67.69 -54.76 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' B' ' 48' ' ' SER . 1.1 tp -76.06 -33.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -34.65 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.3 tt0 -38.16 -57.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 1.084 ' CG1' ' H ' ' B' ' 55' ' ' ALA . 0.8 OUTLIER -88.77 -86.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 1.084 ' H ' ' CG1' ' B' ' 54' ' ' ILE . . . 165.75 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 1.3 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 173.13 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.991 ' HB2' HG22 ' B' ' 69' ' ' THR . 1.3 t-20 -50.41 -56.2 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 1.014 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 9.4 mt -160.35 -55.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 1.014 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.98 163.4 90.8 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.978 -0.048 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.834 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 146.64 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.914 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -17.17 -66.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.765 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 73.9 m -103.95 -92.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.765 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 44.1 t30 113.92 21.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.526 ' HE2' ' HB3' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -133.96 112.38 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -5.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -80.07 -26.52 39.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.609 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -98.41 -60.19 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.609 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 135.09 161.33 9.35 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.991 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -97.06 101.2 12.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.725 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.571 ' SG ' ' C ' ' B' ' 69' ' ' THR . 0.0 OUTLIER -179.42 158.0 0.88 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.26 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.765 ' HD2' HD12 ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.06 165.01 32.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.95 ' CE1' HD12 ' A' ' 15' ' ' LEU . 17.8 p90 -100.1 -170.92 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.669 ' O ' ' HD1' ' B' ' 72' ' ' PHE . 0.2 OUTLIER -97.89 152.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.18 175.48 8.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.723 HG23 ' OE1' ' A' ' 12' ' ' GLU . 5.6 tp . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.19 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.28 -39.64 62.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -39.57 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' B' ' 24' ' ' VAL . 1.3 m -60.08 -74.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.474 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -37.83 -39.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.239 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -71.26 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HB3' ' OE1' ' B' ' 21' ' ' GLU . 7.0 mm-40 -38.14 -48.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.223 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' B' ' 33' ' ' ALA . 24.2 t80 -40.36 -66.6 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.608 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -78.86 -49.84 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.083 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -38.59 -37.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 8.7 mm-40 -76.53 -92.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.76 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 174.66 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.76 ' O ' ' O ' ' A' ' 13' ' ' GLN . 26.7 m170 -7.65 130.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.382 1.051 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.887 HD23 ' CE2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -39.72 166.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 1.041 ' O ' ' N ' ' A' ' 19' ' ' GLN . 7.7 mtm180 -123.38 -72.05 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -29.3 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.675 ' HB2' ' CZ ' ' B' ' 72' ' ' PHE . 83.2 m -69.65 -25.84 64.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 1.041 ' N ' ' O ' ' A' ' 16' ' ' ARG . 6.7 pt20 -31.48 -33.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -55.13 -73.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.863 ' HZ2' ' HA ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -55.1 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.852 HG21 ' CZ ' ' B' ' 72' ' ' PHE . 2.6 pp -29.07 -43.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.664 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -81.62 -48.36 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.7 tp60 -46.06 -36.77 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.06 -38.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.79 ' CD2' ' CD2' ' B' ' 43' ' ' HIS . 10.8 mt -45.52 -51.49 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -59.0 176.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -169.03 -83.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLY . 18.1 p -38.61 99.19 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -74.96 140.52 25.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -171.6 132.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.68 162.06 12.82 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.56 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 6.6 tt0 -161.68 110.6 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 6' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' B' ' 5' ' ' GLN . 0.6 OUTLIER -178.76 124.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.43 -173.17 46.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.07 36.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -78.91 116.16 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' GLN . 1.6 mp -70.63 -39.45 73.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -46.78 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 16.7 tt0 -56.24 -41.76 76.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.512 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 37.2 tt0 -48.65 -38.2 20.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 15' ' ' LEU . 2.7 t -53.08 -65.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' B' ' 18' ' ' LEU . 2.5 t -56.53 -47.83 78.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.512 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 3.8 m-20 -39.29 -35.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.661 ' CG ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -42.1 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.766 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -82.67 -51.84 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.623 ' CE1' ' CE ' ' B' ' 64' ' ' MET . 0.2 OUTLIER -40.02 -41.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.9 OUTLIER -39.28 -37.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 20' ' ' GLN . 5.4 tp10 -60.12 -132.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' B' ' 24' ' ' VAL . 22.8 t0 -134.25 150.6 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.798 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -44.0 -24.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' B' ' 22' ' ' ASP . 15.4 m -46.32 -38.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.951 ' HB3' HG23 ' B' ' 29' ' ' THR . 1.8 m -104.3 59.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.337 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.878 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.1 t -82.67 -87.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 0.986 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.6 OUTLIER -90.95 -16.79 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.324 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.986 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -8.03 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.951 HG23 ' HB3' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -75.92 -60.59 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.978 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -64.49 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.6 OUTLIER -38.34 -35.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.377 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.474 ' NE2' ' HA ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -56.69 -43.65 80.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' B' ' 72' ' ' PHE . . . -73.95 -50.17 21.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HE1' ' B' ' 52' ' ' TYR . . . -39.19 -43.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.568 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 8.2 tttp -50.3 -41.8 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.569 ' N ' ' O ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER -82.56 -43.26 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 1.062 HG22 HD12 ' B' ' 73' ' ' ILE . 98.4 t -39.41 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.7 ttt180 -36.04 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.693 ' O ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -19.6 103.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 3.1 pt20 -0.4 -112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.4 -95.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.57 -0.95 44.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 110.229 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.79 ' CD2' ' CD2' ' A' ' 26' ' ' LEU . 3.0 t-80 -137.88 67.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -20.91 -65.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.505 ' O ' ' O ' ' B' ' 43' ' ' HIS . 18.1 Cg_endo -74.93 155.16 43.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.94 138.92 39.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 1.026 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.9 OUTLIER -171.74 41.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.6 OUTLIER -66.8 -56.86 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -37.54 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.2 OUTLIER -74.78 -72.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 1.026 HG22 ' O ' ' B' ' 47' ' ' GLN . 2.4 tp -38.6 -45.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -38.65 -55.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' B' ' 54' ' ' ILE . 36.3 mt-30 -82.04 -42.3 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' B' ' 51' ' ' ILE . 1.1 mm -40.27 -82.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.751 ' CB ' ' HE1' ' A' ' 21' ' ' TRP . . . -88.21 -175.3 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.754 ' HA ' ' C ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 170.97 -11.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.788 HD21 ' N ' ' B' ' 63' ' ' ASN . 45.4 t30 -149.96 -38.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.939 ' N ' ' HA ' ' B' ' 59' ' ' PRO . 4.4 mt 161.89 -47.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.94 142.72 75.61 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.848 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 4.7 m-20 160.52 -62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 57' ' ' ASN . 2.4 t 0.8 -80.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.694 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -100.86 -57.69 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.788 ' N ' HD21 ' B' ' 57' ' ' ASN . 9.3 t-20 90.63 20.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.623 ' CE ' ' CE1' ' B' ' 19' ' ' TYR . 21.6 mtm -117.44 92.16 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -68.51 1.22 3.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' B' ' 64' ' ' MET . 1.8 pm0 -74.64 -52.57 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.569 ' CD1' ' HE3' ' B' ' 64' ' ' MET . 0.0 OUTLIER -72.09 -83.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' B' ' 26' ' ' VAL . . . 177.22 145.22 5.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.687 ' HB ' ' O ' ' B' ' 56' ' ' LYS . 1.0 OUTLIER -128.64 144.01 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.799 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 38.0 m -161.81 162.52 20.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 108.365 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.863 ' HA ' ' HZ2' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.94 142.75 28.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.887 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -139.97 168.12 20.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 1.062 HD12 HG22 ' B' ' 37' ' ' VAL . 1.6 tt -121.86 164.81 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.512 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -121.23 -73.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.459 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 8.9 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.07 129.25 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -40.6 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HB3' ' OE2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -56.52 -41.32 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -45.6 94.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.154 . . . . 0.0 108.361 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.03 -48.91 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.369 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -53.52 52.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.7 mt-10 -39.52 -47.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.697 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -54.29 -65.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.068 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -61.39 -39.31 90.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -38.13 -42.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' B' ' 75' ' ' ILE . 5.4 mm-40 -88.59 -93.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.7 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.8 OUTLIER 176.41 64.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.7 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 3.8 80.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.601 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -33.79 155.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.7 mtt180 -80.59 -52.89 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 11' ' ' ARG . . . -38.79 -28.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.888 ' HB3' ' CZ ' ' B' ' 72' ' ' PHE . 4.0 m -76.1 -39.96 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 108.283 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.6 mt-30 -43.65 -43.3 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -62.0 -32.78 73.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.969 ' CD1' HG21 ' B' ' 61' ' ' VAL . 1.6 t90 -36.1 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 1.115 ' CG2' HG11 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -78.14 -52.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.639 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 66.6 ttt-85 -38.05 -51.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 8.8 tm0? -53.15 -43.43 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.218 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.73 -52.87 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.66 ' HG ' HD12 ' A' ' 22' ' ' ILE . 6.1 mt -39.67 -47.06 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.3 123.56 22.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.88 83.63 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -97.17 149.65 35.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.097 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.72 13.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.3 p -60.87 118.74 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 40.18 -157.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.65 35.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -51.82 128.3 23.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -178.22 175.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.37 86.6 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.479 ' HB2' HD13 ' B' ' 10' ' ' LEU . 18.4 Cg_endo -74.99 150.38 38.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.574 1.828 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -82.12 61.03 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 107.964 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' B' ' 8' ' ' PRO . 0.3 OUTLIER -78.23 -45.2 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -47.78 -42.11 25.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 16' ' ' ASN . 17.7 mt-10 -48.23 -39.8 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' B' ' 17' ' ' GLU . 84.7 mt-30 -49.32 -58.82 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.663 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -52.61 -45.38 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.618 ' HA ' HD21 ' B' ' 18' ' ' LEU . 2.1 t -59.92 -40.47 88.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' B' ' 12' ' ' GLU . 1.5 m-20 -70.07 -38.43 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.528 ' HB3' HG21 ' B' ' 73' ' ' ILE . 11.0 mm-40 -62.4 -52.74 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.847 HD22 ' N ' ' B' ' 72' ' ' PHE . 0.6 OUTLIER -63.1 -42.52 99.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' B' ' 15' ' ' CYS . 0.4 OUTLIER -52.25 -42.28 63.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -77.3 -30.74 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.635 ' OE2' ' N ' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -80.82 -150.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -123.55 121.27 35.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.6 ' HA ' HG23 ' B' ' 26' ' ' VAL . 1.2 pp0? -48.52 -13.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' SG ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -34.48 -41.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.925 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 24.1 m -120.77 55.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 108.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.797 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 1.2 t -97.11 -67.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 0.944 ' HA ' HD21 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -76.27 -32.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -74.99 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.784 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -86.17 -68.92 0.7 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -29.75 -52.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -44.04 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' B' ' 29' ' ' THR . 0.0 OUTLIER -78.29 -62.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.899 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -47.4 -48.03 26.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.801 ' HA ' HG21 ' A' ' 22' ' ' ILE . . . -44.2 -53.14 6.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.907 ' O ' HG22 ' B' ' 39' ' ' VAL . 4.7 tptt -59.06 -67.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 37' ' ' VAL . 31.1 t -54.16 -37.36 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 1.115 HG11 ' CG2' ' A' ' 22' ' ' ILE . 2.5 t -35.83 -92.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.88 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -103.83 -78.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.907 HG22 ' O ' ' B' ' 35' ' ' LYS . 0.7 OUTLIER 7.49 116.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -179.07 -115.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . -67.96 -84.49 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -9.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.546 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 49.0 t-80 -133.73 57.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.822 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -78.62 -28.05 55.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.1 Cg_endo -74.95 128.44 11.52 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.572 1.827 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.693 ' CE2' ' CE ' ' B' ' 35' ' ' LYS . 3.0 m-85 -97.67 142.53 29.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.571 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -166.0 6.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.721 ' O ' ' N ' ' B' ' 52' ' ' TYR . 68.7 m -82.45 -37.47 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.562 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -68.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.6 OUTLIER -52.96 -34.41 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -32.35 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -39.15 -35.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 1.215 ' O ' ' O ' ' B' ' 55' ' ' ALA . 3.0 mt -80.77 -38.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 1.215 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 10.43 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER 170.51 131.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.954 ' ND2' ' HB ' ' B' ' 61' ' ' VAL . 0.1 OUTLIER -8.44 -54.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 1.096 ' HG ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -171.35 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.97 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 156.41 99.86 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.902 -2.541 . . . . 0.0 110.974 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.972 ' CB ' HD12 ' B' ' 58' ' ' LEU . 6.5 m-20 154.97 -85.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.07 . . . . 0.0 109.333 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 1.096 HG23 ' HG ' ' B' ' 58' ' ' LEU . 45.1 t 8.86 -101.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.73 ' N ' HG12 ' B' ' 61' ' ' VAL . 1.5 m -113.75 -45.97 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.673 ' HA ' ' OD1' ' B' ' 57' ' ' ASN . 18.5 m-20 82.99 21.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.505 ' O ' ' O ' ' B' ' 68' ' ' GLY . 8.5 mmt -51.19 80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' B' ' 63' ' ' ASN . 3.0 ttpt -71.84 -1.12 13.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.06 -36.63 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.624 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.8 OUTLIER -93.77 -61.52 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.624 ' N ' HG22 ' B' ' 67' ' ' ILE . . . -176.55 -179.7 47.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' THR . . . . . 1.209 ' O ' ' CD ' ' B' ' 71' ' ' PRO . 5.1 t -102.0 -125.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.687 ' SG ' HG23 ' B' ' 69' ' ' THR . 0.7 OUTLIER -33.29 74.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 1.209 ' CD ' ' O ' ' B' ' 69' ' ' THR . 18.1 Cg_endo -75.04 160.26 40.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 1.117 ' HD1' ' O ' ' B' ' 71' ' ' PRO . 0.5 OUTLIER 174.39 161.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.584 HG13 ' OE2' ' B' ' 21' ' ' GLU . 13.0 tt -114.39 152.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' B' ' 25' ' ' CYS . . . -117.6 -73.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' N ' ' OE2' ' B' ' 21' ' ' GLU . 2.1 mm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.401 ' CD ' ' N ' ' A' ' 1' ' ' GLN . 2.7 mp0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.82 11.76 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.53 -42.09 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -37.79 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' B' ' 24' ' ' VAL . 8.7 t -49.72 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -53.15 18.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 17.0 mmm-85 -40.17 -42.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -64.94 -80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -38.19 -32.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 111.031 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.565 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -82.14 -40.39 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 8' ' ' GLU . 7.6 mm100 -82.46 -37.3 25.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -46.48 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 179.11 50.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 1.31 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.029 HD12 ' HG2' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -40.61 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.783 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.4 ttt-85 -113.25 -40.27 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.04 -35.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.993 ' O ' HG22 ' A' ' 22' ' ' ILE . 81.4 m -81.73 -33.01 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.248 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.94 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . 1.5 tm0? -33.29 -28.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.91 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.986 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -72.55 -60.79 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -22.02 -51.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HA ' HG11 ' B' ' 37' ' ' VAL . 0.6 OUTLIER -82.84 -52.75 6.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 34.1 tt0 -49.84 -47.8 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.542 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 1.3 tm0? -46.86 -58.66 3.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.762 HD11 ' O ' ' B' ' 34' ' ' ALA . 19.0 mt -46.5 -49.07 18.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . -47.89 100.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.33 116.97 4.92 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 p -45.81 156.68 0.43 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 154.0 41.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -82.65 168.14 17.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.02 -61.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 139.99 24.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.32 111.41 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -53.41 177.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.47 -74.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.09 34.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.465 1.771 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.59 85.89 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 107.983 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.508 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -71.17 -41.75 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' B' ' 14' ' ' CYS . 1.2 ptp180 -40.67 -44.62 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -41.11 -44.05 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 14.4 mm-40 -48.34 -40.99 27.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.448 ' SG ' ' HG ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -53.01 -47.61 68.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' B' ' 61' ' ' VAL . 50.5 t -68.53 -60.62 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' B' ' 15' ' ' CYS . 3.1 m-20 -40.12 -39.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 1.029 ' HG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.72 -38.12 83.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.607 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -79.11 -43.8 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -62.25 -51.87 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 19' ' ' TYR . 4.7 mt-30 -38.52 -38.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' OE2' ' A' ' 8' ' ' GLU . 6.0 tp10 -82.07 -142.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.496 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -113.87 120.21 39.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' B' ' 25' ' ' CYS . 4.5 pp0? -45.88 -16.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 26' ' ' VAL . 0.5 OUTLIER -37.21 -31.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.669 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 70.9 m -78.06 38.55 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 108.248 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.828 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.3 t -37.03 -85.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.049 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -126.33 4.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 1.049 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -10.84 21.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -83.22 -74.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.003 ' HG ' ' HB3' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -35.45 -38.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.686 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 13.7 mttt -40.81 -61.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 36' ' ' SER . 0.2 OUTLIER -83.73 -38.34 21.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' B' ' 73' ' ' ILE . . . -50.96 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.762 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -51.87 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' CG2' ' B' ' 75' ' ' ILE . 0.5 OUTLIER -85.87 -39.74 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.855 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.1 t -31.77 -84.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.855 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -92.83 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.836 HG21 ' CG ' ' B' ' 43' ' ' HIS . 6.3 m -63.55 179.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.38 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.78 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.61 1.194 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -6.3 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.836 ' CG ' HG21 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -104.44 47.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -64.46 -44.27 95.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.6 Cg_endo -74.91 128.86 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.53 ' O ' ' HB ' ' B' ' 49' ' ' THR . 3.9 m-85 -100.72 20.44 15.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.9 -14.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.884 ' HA ' HG23 ' B' ' 51' ' ' ILE . 3.2 m -75.52 -35.69 60.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -33.89 -38.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' B' ' 48' ' ' SER . 8.4 ttt180 -80.11 -59.7 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.884 HG23 ' HA ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -59.86 -42.31 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.686 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -31.77 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.5 tm0? -38.22 -36.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' B' ' 55' ' ' ALA . 11.3 pt -62.98 -59.04 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 1.069 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 14.18 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.986 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 167.93 114.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 1.001 ' HB2' HG22 ' B' ' 69' ' ' THR . 0.1 OUTLIER -35.01 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.975 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 2.7 mt -161.03 -55.16 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.975 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -75.08 164.26 88.77 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.995 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.946 ' CB ' HD12 ' B' ' 58' ' ' LEU . 0.5 OUTLIER 159.41 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 -179.921 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.922 HG11 ' OD1' ' B' ' 57' ' ' ASN . 7.8 p 9.48 -124.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.874 ' H ' HG13 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -68.85 -91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 1.9 m-20 146.61 56.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.593 ' CG ' ' O ' ' B' ' 64' ' ' MET . 11.1 ptp -140.72 108.05 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -0.44 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -76.85 -26.65 54.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.607 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -100.72 -61.56 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.607 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 133.36 158.38 8.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' THR . . . . . 1.001 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -107.47 119.02 38.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 1.003 ' HB3' ' HG ' ' B' ' 30' ' ' LEU . 1.5 m -162.03 152.41 14.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.969 ' N ' ' HH2' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.06 127.57 10.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.379 1.726 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.903 ' O ' HD21 ' A' ' 15' ' ' LEU . 29.8 m-85 -116.42 58.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.999 ' O ' ' HB1' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -150.06 144.01 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.689 ' H ' ' HB3' ' A' ' 14' ' ' HIS . . . -119.87 -118.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.633 ' CG2' ' O ' ' B' ' 36' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.472 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 3.4 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.472 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -74.99 129.14 12.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.05 -53.66 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -45.24 -42.18 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.54 -60.93 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.604 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -64.63 -57.72 8.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.02 -63.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 22.7 mt-10 -36.82 -36.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.781 ' CD2' ' CE1' ' A' ' 14' ' ' HIS . 8.8 t80 -53.56 -70.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 1.9 tt0 -73.45 -38.96 65.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -36.84 -42.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' O ' ' B' ' 74' ' ' ALA . 3.7 mm-40 -89.62 -93.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 1.002 ' O ' ' O ' ' A' ' 14' ' ' HIS . 1.8 mt-30 178.93 73.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 1.002 ' O ' ' O ' ' A' ' 13' ' ' GLN . 0.2 OUTLIER -4.0 139.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.596 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.775 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.96 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 19' ' ' GLN . 2.4 mtt180 -116.5 -64.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.03 -35.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.79 -39.88 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -48.26 -32.89 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -39.77 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.869 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -53.19 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.011 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.659 HG12 ' CH2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -30.26 -48.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -88.21 -64.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.8 tp60 -39.85 -36.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG3' HD11 ' B' ' 51' ' ' ILE . 4.7 tm0? -35.38 -39.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.793 HD13 ' HB2' ' B' ' 43' ' ' HIS . 4.3 mt -56.41 -50.74 70.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -48.6 173.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.34 43.91 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 t -38.8 102.44 0.25 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 143.48 29.21 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.414 1.744 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.87 59.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.36 -80.01 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.17 27.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -123.32 98.79 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.03 56.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.21 -79.3 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.86 42.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -130.52 53.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.04 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -40.9 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -53.69 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 16' ' ' ASN . 14.5 mt-10 -40.78 -42.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 12.7 tt0 -45.89 -48.4 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.455 ' O ' ' CE1' ' B' ' 72' ' ' PHE . 0.5 OUTLIER -50.51 -51.23 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.585 1.178 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -67.68 -61.17 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.516 ' N ' ' SG ' ' B' ' 15' ' ' CYS . 3.0 m-20 -37.38 -35.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.856 ' CG ' ' CE2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -79.76 -38.77 32.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.971 HD13 HG11 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -83.63 -53.29 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -33.58 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 18' ' ' LEU . 1.1 mm-40 -54.06 -36.87 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -81.05 -151.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.705 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -130.02 113.76 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 1.002 ' HA ' ' HB ' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -50.09 -6.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.631 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -39.31 -42.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 1.07 ' O ' HG23 ' B' ' 29' ' ' THR . 18.4 m -131.57 3.32 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 1.002 ' HB ' ' HA ' ' B' ' 23' ' ' GLN . 26.7 t -84.28 -24.11 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 0.645 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.8 OUTLIER -86.84 -45.12 0.54 Allowed Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 108.29 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' THR . . . . . 1.07 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -65.19 -38.19 89.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.809 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -48.34 -52.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HB2' ' CD2' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -40.6 -38.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.07 -43.4 78.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.808 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -57.97 -38.65 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 38' ' ' ARG . . . -64.97 -39.27 93.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 0.9 OUTLIER -37.75 -58.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.0 m -69.61 -51.21 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 33' ' ' ALA . 29.1 t -53.73 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.693 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -13.02 -73.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.693 ' C ' ' O ' ' B' ' 38' ' ' ARG . 54.1 t 0.9 81.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 2.6 tt0 0.65 -109.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 45.01 -94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -83.28 -4.46 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.793 ' HB2' HD13 ' A' ' 26' ' ' LEU . 5.8 t-160 -118.18 54.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.623 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.634 ' O ' ' CE1' ' B' ' 46' ' ' PHE . . . -32.46 -55.99 0.45 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.3 Cg_endo -74.89 150.62 38.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' B' ' 44' ' ' GLY . 1.0 OUTLIER -115.92 139.57 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 1.055 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -174.73 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.683 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.7 OUTLIER -55.54 -56.89 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -38.72 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' B' ' 53' ' ' GLN . 0.4 OUTLIER -81.18 -72.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 1.055 HG22 ' O ' ' B' ' 47' ' ' GLN . 1.2 tp -36.44 -36.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' B' ' 48' ' ' SER . 3.4 m-30 -63.16 -52.68 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 50' ' ' ARG . 3.2 tm0? -81.42 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.709 ' CG1' ' HA ' ' B' ' 51' ' ' ILE . 2.0 pp -36.08 -69.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.662 ' H ' HG13 ' B' ' 54' ' ' ILE . . . -60.27 174.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.767 ' O ' ' HA ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 177.74 -100.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.924 ' HA ' ' O ' ' B' ' 69' ' ' THR . 2.0 t-20 -53.73 -45.36 70.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.892 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 1.9 mt 174.4 -52.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.892 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 150.88 96.18 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.992 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.889 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 5.0 m-20 155.11 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.809 HG12 ' N ' ' B' ' 62' ' ' CYS . 2.0 t 2.5 -82.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.223 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.809 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -92.6 -90.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 108.32 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 16.6 m-20 144.75 46.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -135.29 90.28 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.84 -3.15 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' B' ' 67' ' ' ILE . 1.7 pt20 -70.92 -41.11 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -122.31 -58.05 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 109.76 144.28 10.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.924 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 36.2 m -135.57 91.39 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.767 ' HA ' ' O ' ' B' ' 56' ' ' LYS . 1.9 m -71.36 -169.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.367 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.738 ' O ' ' O ' ' B' ' 26' ' ' VAL . 18.5 Cg_endo -74.93 162.8 36.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.856 ' CE2' ' CG ' ' B' ' 17' ' ' GLU . 2.6 p90 -124.87 -137.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 2.7 pt -115.11 150.33 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' GLU . . . -118.21 -167.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 1' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.96 129.25 12.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.68 -43.78 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.83 -39.82 74.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.489 ' SG ' HG13 ' B' ' 24' ' ' VAL . 1.5 m -56.94 -66.78 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -38.28 -39.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -75.39 -64.25 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -39.09 -39.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 28.9 t80 -45.67 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -79.16 -40.16 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -51.51 -36.4 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 6.0 mm-40 -74.32 -90.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.697 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 173.96 72.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.225 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.697 ' C ' ' O ' ' A' ' 13' ' ' GLN . 21.3 m170 -7.18 120.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 109.547 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.08 174.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 18' ' ' CYS . 69.6 mtm-85 -119.05 -72.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' C ' ' N ' ' A' ' 19' ' ' GLN . . . -34.75 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.673 ' SG ' ' CD2' ' B' ' 72' ' ' PHE . 50.7 m -42.04 -25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 3.8 mm-40 -35.58 -50.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 23' ' ' ARG . 3.7 mt-30 -57.72 -39.52 77.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.417 ' CE2' ' HA ' ' B' ' 71' ' ' PRO . 0.7 OUTLIER -41.45 -67.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.836 HG12 ' HB2' ' B' ' 74' ' ' ALA . 0.2 OUTLIER -77.71 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 3.6 ttt180 -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 5.9 tt0 -54.76 -41.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -48.99 -55.26 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.779 HD22 ' CD2' ' B' ' 43' ' ' HIS . 11.3 mt -60.12 -42.59 95.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . -41.17 126.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.83 -53.52 2.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -119.77 83.06 28.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.401 0.706 . . . . 0.0 109.998 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 158.86 41.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -64.75 146.77 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.21 68.23 1.79 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.15 39.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.568 1.825 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -120.19 102.35 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.94 63.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 -162.85 19.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.63 29.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -139.25 176.11 8.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.038 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.78 -49.94 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.484 ' CZ ' ' OE1' ' B' ' 12' ' ' GLU . 21.7 ptt85 -52.87 -43.88 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' GLU . . . . . 0.484 ' OE1' ' CZ ' ' B' ' 11' ' ' ARG . 0.3 OUTLIER -71.92 -40.58 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 13' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 17' ' ' GLU . 1.5 mm100 -47.86 -55.07 10.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -48.46 74.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.644 ' HB2' HG13 ' B' ' 61' ' ' VAL . 2.4 t -58.22 -38.89 77.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' B' ' 12' ' ' GLU . 1.5 m-20 -71.09 -37.68 72.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -56.67 -39.01 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.874 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -39.22 44.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.451 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.3 OUTLIER -58.64 -71.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -39.63 -35.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' B' ' 20' ' ' GLN . 0.6 OUTLIER -60.4 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.495 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -115.12 116.89 29.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -47.05 -15.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.495 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -36.97 -31.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.59 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 81.8 m -96.87 55.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.756 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.4 t -33.53 -83.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.004 ' N ' ' HD3' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -138.86 22.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 1.004 ' HD3' ' N ' ' B' ' 27' ' ' CYS . 18.3 Cg_endo -74.99 -25.64 11.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' THR . . . . . 0.457 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.3 OUTLIER -67.01 -74.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.053 ' HB3' ' O ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -36.0 -39.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -38.49 -55.22 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -81.86 -48.57 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.793 ' HB1' ' C ' ' B' ' 72' ' ' PHE . . . -42.32 -49.61 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' B' ' 35' ' ' LYS . . . -74.81 -41.19 60.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 13.8 tptm -39.06 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.499 ' O ' HG22 ' B' ' 39' ' ' VAL . 19.7 m -80.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.81 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -50.82 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.81 ' N ' HG12 ' B' ' 37' ' ' VAL . 1.1 mmt180 -23.02 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.692 ' C ' ' O ' ' B' ' 38' ' ' ARG . 2.5 m -7.34 109.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' B' ' 39' ' ' VAL . 12.0 tm0? -34.28 150.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.1 -43.5 0.63 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -125.53 -3.83 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.779 ' CD2' HD22 ' A' ' 26' ' ' LEU . 43.3 t-80 -149.9 59.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.557 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . 33.93 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 40' ' ' GLN . 18.3 Cg_endo -75.02 157.75 42.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.55 1.816 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' PHE . . . . . 0.617 ' CE2' ' CE1' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -156.28 145.9 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.7 OUTLIER -87.83 41.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.677 ' O ' ' N ' ' B' ' 52' ' ' TYR . 76.0 p -67.64 -53.2 29.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.477 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -32.38 -37.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -82.99 -72.36 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.764 HG23 ' HE3' ' B' ' 56' ' ' LYS . 4.4 tp -51.06 -38.83 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.677 ' N ' ' O ' ' B' ' 48' ' ' SER . 19.8 t80 -40.59 -33.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 52' ' ' TYR . 2.9 tm0? -35.69 -72.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 1.034 HG23 ' H ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -80.35 -77.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 1.077 ' HB3' HG23 ' B' ' 69' ' ' THR . . . -178.37 -147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.927 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -178.63 86.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.982 ' O ' HG23 ' B' ' 61' ' ' VAL . 2.8 m-20 -35.68 -56.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.968 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.3 OUTLIER 172.05 -53.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.968 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.1 Cg_endo -75.12 160.41 96.49 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.932 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.807 ' HB2' ' CB ' ' B' ' 58' ' ' LEU . 1.5 m120 160.64 -68.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 0.982 HG12 ' SG ' ' B' ' 62' ' ' CYS . 58.0 t 0.35 -106.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.982 ' SG ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -122.74 7.6 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.52 ' HA ' ' ND2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER 44.21 38.64 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.535 ' CG ' ' SG ' ' B' ' 62' ' ' CYS . 0.3 OUTLIER -66.84 81.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 12.7 tttm -72.65 -1.78 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.68 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.477 ' H ' HD13 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -79.22 -83.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.91 33.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 69' ' ' THR . . . . . 1.077 HG23 ' HB3' ' B' ' 55' ' ' ALA . 0.5 OUTLIER -81.76 -169.81 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.433 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.832 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 1.3 m 174.79 115.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 1.417 ' HA ' ' CE2' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.793 ' C ' ' HB1' ' B' ' 33' ' ' ALA . 21.9 m-85 -136.01 -154.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.487 HD12 ' O ' ' B' ' 75' ' ' ILE . 0.8 OUTLIER -100.29 -174.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.836 ' HB2' HG12 ' A' ' 22' ' ' ILE . . . -136.81 -83.25 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.487 ' O ' HD12 ' B' ' 73' ' ' ILE . 7.4 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.402 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -75.09 130.68 13.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.47 -33.43 64.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.0 mtmm -36.56 -51.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -63.45 -76.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -36.79 -38.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 ttt-85 -78.52 -46.68 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -40.53 -40.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 110.231 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' B' ' 33' ' ' ALA . 3.1 t80 -34.83 -68.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 2.2 tt0 -85.18 -36.54 20.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -50.94 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.729 ' CG ' ' H ' ' A' ' 13' ' ' GLN . 1.1 pt-20 -73.66 -87.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.729 ' H ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 mt-30 171.99 72.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.688 ' C ' ' O ' ' A' ' 13' ' ' GLN . 20.1 m170 10.17 87.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.802 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -27.11 148.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.753 ' O ' ' N ' ' A' ' 19' ' ' GLN . 21.3 mtt-85 -103.23 -52.02 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.38 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.661 ' SG ' ' CG ' ' B' ' 72' ' ' PHE . 63.5 m -58.45 -27.68 64.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -35.88 -39.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -75.2 -37.57 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 1.131 ' CD1' HG21 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -53.39 -51.7 61.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.98 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.97 HG21 HG21 ' B' ' 37' ' ' VAL . 2.4 pp -75.76 -57.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.763 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -37.25 -57.48 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.57 ' CG ' HD13 ' B' ' 58' ' ' LEU . 1.1 tt0 -49.51 -36.65 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -49.88 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' CD ' ' B' ' 38' ' ' ARG . 3.8 mt -49.12 -48.35 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . -40.81 160.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -153.35 -78.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -38.91 100.1 0.2 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 0.771 . . . . 0.0 109.96 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.28 23.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.548 1.815 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' B' ' 3' ' ' GLY . 2.1 m -41.47 148.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' B' ' 2' ' ' SER . . . -37.63 99.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.49 42.78 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.18 171.98 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.17 163.46 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLY . . . . . 0.516 ' O ' ' CE2' ' B' ' 9' ' ' TRP . . . 175.72 177.24 44.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' B' ' 9' ' ' TRP . 18.7 Cg_endo -74.95 150.16 37.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' TRP . . . . . 0.516 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 1.5 m-90 -143.6 55.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.71 -40.78 61.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -55.21 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.39 -41.09 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -53.4 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -52.72 -38.47 60.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' B' ' 61' ' ' VAL . 49.8 t -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.745 ' O ' ' N ' ' B' ' 20' ' ' GLN . 2.2 m-20 -55.75 -36.17 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 38.4 mm-40 -48.73 -47.25 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.892 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.83 -42.52 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.631 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -69.36 -35.23 75.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' B' ' 16' ' ' ASN . 1.2 mt-30 -37.3 -40.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 24' ' ' VAL . 3.1 tp10 -101.72 -146.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.54 ' C ' HG23 ' B' ' 26' ' ' VAL . 0.4 OUTLIER -125.79 -154.23 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.627 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.8 pt20 -48.28 -22.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 21' ' ' GLU . 1.0 OUTLIER -47.47 -54.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 0.594 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 1.3 p -127.2 39.66 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 0.894 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -63.89 -77.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.084 ' H ' ' HD3' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -120.54 1.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 108.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 1.084 ' HD3' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -75.06 -13.19 21.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -72.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -40.79 -38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' B' ' 52' ' ' TYR . 21.6 mtpt -39.21 -67.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -73.41 -46.46 48.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.882 ' HB1' ' N ' ' B' ' 73' ' ' ILE . . . -39.31 -44.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.663 ' CB ' ' HG2' ' B' ' 71' ' ' PRO . . . -72.39 -36.37 68.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.803 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -33.76 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 30.5 m -59.6 -37.88 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.97 HG21 HG21 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -36.19 -69.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.887 ' CD ' HD11 ' A' ' 26' ' ' LEU . 6.1 mmp_? -95.75 -103.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 39' ' ' VAL . 1.1 m 12.11 51.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' B' ' 38' ' ' ARG . 15.9 tm0? 175.68 156.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . 64.67 -140.05 42.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -53.36 -7.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.971 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 61.4 t-80 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.615 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.979 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -82.09 -10.0 84.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' PRO . . . . . 0.979 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.05 129.43 12.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -94.49 154.29 17.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.43 ' O ' HG23 ' B' ' 51' ' ' ILE . 0.0 OUTLIER 178.23 -23.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.658 ' OG ' ' CE1' ' B' ' 52' ' ' TYR . 1.4 p -38.78 -35.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.79 -53.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -62.92 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.897 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -41.35 -35.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.658 ' CE1' ' OG ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -32.64 -46.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.15 -39.7 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 1.073 ' O ' ' O ' ' B' ' 55' ' ' ALA . 4.8 mm -77.57 -45.28 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 1.073 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 12.16 -155.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.268 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.673 ' HA ' HG23 ' B' ' 69' ' ' THR . 0.0 OUTLIER 168.78 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.904 ' O ' HD23 ' B' ' 58' ' ' LEU . 1.0 OUTLIER -25.27 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 0.936 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.9 OUTLIER -158.21 -54.77 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.936 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 160.57 96.35 Favored 'Cis proline' 0 C--N 1.359 1.099 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.0 0.021 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.741 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 1.3 m120 151.61 -59.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 1.131 HG21 ' CD1' ' A' ' 21' ' ' TRP . 3.2 t -22.61 -86.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.741 ' N ' HG12 ' B' ' 61' ' ' VAL . 80.5 m -115.32 -32.42 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.465 ' H ' ' ND2' ' B' ' 57' ' ' ASN . 32.9 m-20 64.87 30.72 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.62 ' HE3' ' CE1' ' B' ' 19' ' ' TYR . 28.5 mtm -114.62 94.1 4.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 4.49 20.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -63.31 -26.0 68.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.59 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -116.71 -60.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.59 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 175.63 149.32 7.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.673 HG23 ' HA ' ' B' ' 56' ' ' LYS . 1.4 t -143.49 123.54 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.957 ' HB2' HD23 ' B' ' 30' ' ' LEU . 61.2 m -161.02 163.39 20.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 0.764 ' C ' ' HB3' ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.04 130.88 13.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 0.908 ' HD1' ' CD1' ' A' ' 21' ' ' TRP . 31.9 m-85 -77.42 -152.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 0.882 ' N ' ' HB1' ' B' ' 33' ' ' ALA . 7.9 tt -115.74 175.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.512 ' N ' HG23 ' B' ' 37' ' ' VAL . . . -104.1 -157.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.373 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.631 ' HB ' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLN . . . . . 0.4 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 2.7 tp60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.3 Cg_endo -74.93 129.19 12.17 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.32 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -42.88 -40.48 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLN . . . . . 0.415 ' NE2' ' H ' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -46.18 -45.2 16.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -61.44 -59.25 5.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.884 ' OE2' ' C ' ' B' ' 75' ' ' ILE . 4.7 mm-40 -40.34 -48.4 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -46.79 -61.86 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.1 tt0 -68.28 -37.07 80.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -36.56 -38.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.173 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -92.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER 176.88 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 24.0 m170 1.3 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.191 HD21 ' CD2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -44.2 161.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.77 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 34.1 mtm180 -109.93 -44.05 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.16 -36.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . 0.681 ' SG ' ' CE1' ' B' ' 72' ' ' PHE . 99.4 m -84.04 -38.95 20.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 22' ' ' ILE . 2.3 pt20 -36.1 -37.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.66 -53.48 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.9 ' CZ2' HD23 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.38 -51.2 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 108.038 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 19' ' ' GLN . 11.4 mt -35.37 -47.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.73 -56.87 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -45.51 -39.85 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' OE1' HD11 ' B' ' 54' ' ' ILE . 0.0 OUTLIER -39.81 -50.28 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 HG12 ' B' ' 39' ' ' VAL . 13.3 mt -43.57 -47.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.12 156.0 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.85 168.99 20.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.1 t -176.11 82.42 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 147.55 34.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLN . . . . . 0.452 ' N ' ' CD ' ' B' ' 1' ' ' GLN . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -97.69 113.64 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.98 -151.79 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 155.02 42.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -42.77 145.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -67.72 131.48 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.81 -77.37 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 143.76 29.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 175.96 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 10' ' ' LEU . . . . . 0.562 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -79.43 -40.54 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -58.03 -65.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -47.37 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -47.37 -45.96 25.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.209 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -48.52 -52.15 23.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' CYS . . . . . 0.53 ' SG ' ' CD1' ' B' ' 19' ' ' TYR . 1.3 t -62.91 -56.74 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 1.191 . . . . 0.0 108.358 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' CYS . 3.3 m-20 -39.36 -36.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLU . . . . . 0.758 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -50.6 -47.48 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 18' ' ' LEU . . . . . 0.928 HD22 ' O ' ' B' ' 71' ' ' PRO . 0.1 OUTLIER -83.84 -39.5 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' SG ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -55.95 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.39 -33.78 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -74.65 -143.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 22' ' ' ASP . . . . . 0.706 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.86 100.06 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -51.74 -0.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.706 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.3 OUTLIER -24.03 -41.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 25' ' ' CYS . . . . . 1.25 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -47.51 -94.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 26' ' ' VAL . . . . . 1.25 HG23 ' O ' ' B' ' 25' ' ' CYS . 2.8 t 160.86 -91.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' CYS . . . . . 1.335 ' H ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -164.25 5.03 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 28' ' ' PRO . . . . . 1.335 ' CD ' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' THR . . . . . 1.001 HG21 HG22 ' B' ' 73' ' ' ILE . 0.2 OUTLIER -54.34 -41.05 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.359 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 1.089 HD12 ' CG ' ' B' ' 71' ' ' PRO . 0.2 OUTLIER -37.75 -62.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.749 ' HA ' ' CE2' ' B' ' 52' ' ' TYR . 19.9 mttt -46.59 -55.99 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.572 ' HA ' ' HB3' ' B' ' 35' ' ' LYS . 0.3 OUTLIER -48.76 -36.02 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' B' ' 30' ' ' LEU . . . -52.23 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' ALA . . . . . 0.648 ' HB3' ' OH ' ' B' ' 52' ' ' TYR . . . -65.23 -39.13 92.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.581 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -47.34 -52.27 16.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 93.6 p -85.34 -49.68 7.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' VAL . . . . . 0.857 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -37.24 -87.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ARG . . . . . 0.857 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.1 OUTLIER -96.19 -104.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.233 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.718 ' C ' ' O ' ' B' ' 38' ' ' ARG . 0.6 OUTLIER 2.68 105.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 43' ' ' HIS . 26.3 tt0 178.16 160.32 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.25 -103.77 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -7.69 24.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 0.756 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 40' ' ' GLN . 4.9 t60 -143.21 55.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . -54.23 -117.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.582 1.176 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.37 12.24 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.519 1.8 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -122.11 175.65 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' GLN . . . . . 0.624 ' O ' HG22 ' B' ' 51' ' ' ILE . 53.9 mm-40 -78.23 7.35 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' SER . . . . . 0.9 ' HA ' HG23 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -65.39 -33.61 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.451 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -36.55 -47.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -82.92 -72.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ILE . . . . . 0.906 HD13 ' N ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.0 -37.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 52' ' ' TYR . . . . . 0.906 ' N ' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -35.37 -53.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 53' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 54' ' ' ILE . 0.8 OUTLIER -38.26 -35.85 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 54' ' ' ILE . . . . . 0.698 HD12 ' N ' ' B' ' 55' ' ' ALA . 2.0 pp -36.8 -70.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ALA . . . . . 0.698 ' N ' HD12 ' B' ' 54' ' ' ILE . . . -68.72 -165.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' B' ' 54' ' ' ILE . 0.0 OUTLIER 179.76 -87.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ASN . . . . . 0.835 ' O ' ' HG ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -66.65 -41.32 88.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 58' ' ' LEU . . . . . 1.0 ' HG ' HG23 ' B' ' 61' ' ' VAL . 3.0 mt 169.78 -51.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 59' ' ' PRO . . . . . 0.898 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -74.95 152.87 98.76 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.987 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 60' ' ' ASN . . . . . 0.809 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 6.7 m-20 153.32 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 61' ' ' VAL . . . . . 1.0 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -14.77 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' CYS . . . . . 0.749 ' N ' HG12 ' B' ' 61' ' ' VAL . 89.5 m -82.37 -74.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 77.2 22.21 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 64' ' ' MET . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' GLN . 20.3 mtm -100.26 92.66 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -59.38 -2.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 66' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.7 OUTLIER -79.72 -49.68 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 67' ' ' ILE . . . . . 0.614 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.1 OUTLIER -99.42 -61.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLY . . . . . 0.614 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 143.43 177.86 18.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.604 1.19 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' THR . . . . . 0.67 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -100.96 162.01 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 70' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 26' ' ' VAL . 0.1 OUTLIER -178.9 161.25 1.04 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PRO . . . . . 1.089 ' CG ' HD12 ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.12 165.09 31.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' PHE . . . . . 1.191 ' CD2' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.42 152.49 27.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 73' ' ' ILE . . . . . 1.001 HG22 HG21 ' B' ' 29' ' ' THR . 2.0 pp -135.88 -158.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' ALA . . . . . 0.793 ' N ' HD12 ' B' ' 73' ' ' ILE . . . -152.53 177.19 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' ILE . . . . . 0.884 ' C ' ' OE2' ' A' ' 8' ' ' GLU . 33.1 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' GLN . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.04 129.25 12.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -39.95 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -56.66 -40.85 76.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -56.87 -68.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -38.0 51.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 11' ' ' GLN . 12.3 mmt85 -64.75 -71.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -37.19 -41.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.763 ' HZ ' ' HB2' ' B' ' 33' ' ' ALA . 2.4 t80 -52.45 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.571 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -77.38 -48.1 18.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 10.1 mm-40 -75.92 -91.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.706 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 174.2 71.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.706 ' C ' ' O ' ' A' ' 13' ' ' GLN . 28.0 m170 -5.32 113.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.451 1.095 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.34 162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 19' ' ' GLN . 33.4 mtt85 -114.96 -46.37 2.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.09 -29.17 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HB3' ' CG2' ' A' ' 22' ' ' ILE . 4.5 m -79.09 -30.99 44.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 108.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.727 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -35.08 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 mt-30 -59.13 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.03 ' CE3' HD23 ' B' ' 58' ' ' LEU . 0.1 OUTLIER -53.09 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.737 HG22 ' CZ3' ' A' ' 21' ' ' TRP . 1.2 pp -30.09 -45.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.675 ' N ' HD12 ' A' ' 22' ' ' ILE . 65.4 ttt-85 -84.69 -69.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.3 tm0? -40.37 -40.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.6 tp60 -39.26 -38.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.882 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 27.3 mt -39.7 -48.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.988 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 108.013 -1.106 . . . . 0.0 108.013 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mp -79.16 -44.89 21.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -41.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -42.96 -43.46 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -39.68 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.493 ' HB3' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -61.21 -55.28 33.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.64 ' HB2' HG12 ' B' ' 61' ' ' VAL . 4.8 t -64.43 -46.52 82.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' B' ' 20' ' ' GLN . 0.9 OUTLIER -38.5 -38.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 45.4 mm-40 -64.26 -47.19 80.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.772 HD12 ' N ' ' B' ' 19' ' ' TYR . 1.5 pp -81.57 -47.41 13.1 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.772 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -53.94 -54.51 37.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -38.57 -37.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' CG ' ' B' ' 22' ' ' ASP . 0.0 OUTLIER -90.95 -150.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -98.36 120.78 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.539 ' HA ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -41.6 -20.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -40.92 -28.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.66 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 37.5 m -113.91 66.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 108.219 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.825 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 2.2 t -104.01 -85.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 0.864 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 38.9 t -66.17 -29.13 2.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.864 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -9.89 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.645 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -83.67 -36.29 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.906 ' N ' ' CD2' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.42 -47.15 13.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.8 mtmt -38.01 -57.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -54.27 -35.31 62.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.763 ' HB2' ' HZ ' ' A' ' 9' ' ' PHE . . . -57.74 -59.08 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.937 ' HB3' ' CE1' ' B' ' 52' ' ' TYR . . . -41.02 -39.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 10.2 tttp -41.25 -46.78 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.76 ' O ' HG22 ' B' ' 39' ' ' VAL . 48.8 m -78.76 -49.7 12.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.844 HG12 HD21 ' A' ' 26' ' ' LEU . 86.4 t -44.33 -79.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.701 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.8 OUTLIER -23.51 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.76 HG22 ' O ' ' B' ' 36' ' ' SER . 1.8 m 2.09 99.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.605 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -19.0 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 55.82 -82.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.397 1.061 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.1 mp0 -109.94 -2.43 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' B' ' 46' ' ' PHE . 7.6 t60 -139.63 64.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -23.86 -91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.88 42.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.615 1.85 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.882 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -174.57 -178.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.935 ' O ' HG22 ' B' ' 51' ' ' ILE . 23.7 mt-30 -126.52 56.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -38.92 -37.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.077 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -49.98 61.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -78.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.935 HG22 ' O ' ' B' ' 47' ' ' GLN . 3.5 tp -37.84 -34.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.937 ' CE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -53.73 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.508 ' O ' ' C ' ' B' ' 54' ' ' ILE . 5.4 tm0? -59.11 -67.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 1.135 ' O ' ' O ' ' B' ' 55' ' ' ALA . 2.2 pp -32.27 -70.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 6.96 -153.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.894 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 163.29 121.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.808 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.3 OUTLIER -20.76 -46.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 1.071 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 6.3 mt -158.78 -55.59 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 1.071 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 162.15 93.42 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.989 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.929 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 151.34 -59.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.831 HG23 ' HG ' ' B' ' 58' ' ' LEU . 78.4 t -4.82 -61.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.774 ' N ' ' O ' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -129.93 -80.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.732 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 24.7 t30 131.36 44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 2.5 ptp -143.66 99.46 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -76.76 -3.01 35.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -14.54 52.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.584 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -96.29 -58.0 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.584 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 148.25 162.23 10.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 56' ' ' LYS . 0.5 OUTLIER -158.82 155.15 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.896 ' CB ' ' HB2' ' B' ' 30' ' ' LEU . 10.2 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -75.06 128.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -39.4 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.35 -40.43 94.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.63 -60.98 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 108.246 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -52.47 -43.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' GLU . 7.1 ttp180 -64.01 -57.02 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 2.3 mm-40 -38.3 -42.66 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.842 ' CE1' ' CG ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -44.71 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.8 tt0 -76.34 -38.39 55.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.463 ' CG ' ' HA ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -37.25 -42.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -84.0 -92.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.703 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 177.43 69.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.842 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 19.3 m170 1.13 107.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.852 ' O ' ' HB3' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -39.52 171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 12.8 mtp85 -113.52 -53.75 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -40.58 -48.19 2.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.489 ' HA ' HD21 ' B' ' 58' ' ' LEU . 84.6 m -82.15 -39.99 22.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.852 ' HB3' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 -34.52 6.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -35.56 -74.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -59.04 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.063 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.702 HD11 HD13 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -31.97 -47.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -87.04 -70.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.656 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -37.01 -34.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 2.8 mm-40 -33.73 -40.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.48 -60.4 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.963 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 28.2 m0 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 108.019 -1.104 . . . . 0.0 108.019 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.41 -39.98 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.406 ' HA ' ' SG ' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -45.18 -40.67 7.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.221 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 1.4 tm0? -50.44 -44.93 55.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -51.53 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 108.216 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -54.19 -51.74 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 0.9 OUTLIER -40.18 -36.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.483 ' CD ' ' C ' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -72.24 -38.75 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.214 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.789 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -66.69 -49.69 65.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.78 -37.41 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.34 -37.96 65.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.24 -149.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.652 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -119.65 115.81 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.824 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.1 mp0 -54.63 -0.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.652 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -59.47 -37.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 1.031 ' O ' HG23 ' B' ' 29' ' ' THR . 13.5 m -109.47 19.44 19.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.871 HG12 ' CB ' ' B' ' 70' ' ' CYS . 2.8 t -88.44 -23.44 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 0.647 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -86.33 -45.47 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 108.271 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.728 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 Cg_endo -74.9 -4.71 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.609 1.847 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 1.031 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -72.3 -43.62 63.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 1.129 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -68.21 -49.18 62.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.625 ' N ' HD12 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -37.34 -44.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 2.7 mp0 -68.41 -41.23 80.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.83 ' HB2' ' HZ ' ' A' ' 9' ' ' PHE . . . -65.54 -45.66 82.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' B' ' 37' ' ' VAL . . . -64.99 -41.36 95.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -60.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 109.201 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -77.74 -52.75 8.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.764 ' C ' HD11 ' A' ' 26' ' ' LEU . 14.1 t -41.5 -76.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.702 ' O ' ' C ' ' B' ' 39' ' ' VAL . 4.2 ttp180 -10.9 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.702 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 t 3.33 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.675 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -8.88 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 56.02 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.1 OUTLIER -123.37 -2.3 8.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 0.777 . . . . 0.0 110.269 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.564 ' CG ' HD22 ' A' ' 26' ' ' LEU . 15.9 t60 -119.46 54.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.763 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -77.62 -33.72 41.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.763 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.07 149.31 36.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -91.22 141.32 28.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 10.8 pt20 177.26 -27.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.835 ' O ' ' N ' ' B' ' 52' ' ' TYR . 38.4 m -82.7 -44.29 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.919 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.433 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -36.18 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -61.32 -64.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.694 HD11 ' O ' ' B' ' 55' ' ' ALA . 0.3 OUTLIER -71.63 -40.18 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.835 ' N ' ' O ' ' B' ' 48' ' ' SER . 11.3 t80 -37.52 -36.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.44 -56.44 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.895 HG13 ' H ' ' B' ' 55' ' ' ALA . 1.7 pp -80.96 -80.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.895 ' H ' HG13 ' B' ' 54' ' ' ILE . . . 175.63 -158.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.92 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -171.01 100.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.822 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.6 OUTLIER -35.62 -54.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 1.052 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 4.2 mt -169.34 -53.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 1.052 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -75.02 163.91 89.61 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.018 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.807 ' CB ' HD12 ' B' ' 58' ' ' LEU . 5.2 m-20 152.16 -56.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.816 HG12 ' N ' ' B' ' 62' ' ' CYS . 3.1 t 2.44 -90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.816 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.9 OUTLIER -152.89 18.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' B' ' 62' ' ' CYS . 1.7 p30 38.34 33.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.685 ' O ' ' HG3' ' B' ' 64' ' ' MET . 20.8 ptp -71.3 77.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -63.17 -3.16 1.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' MET . 3.3 mt-30 -78.59 -37.28 42.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.66 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -100.33 -63.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.66 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 146.1 164.33 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.951 ' O ' ' SG ' ' B' ' 70' ' ' CYS . 0.5 OUTLIER -85.44 119.71 26.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 0.772 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.951 ' SG ' ' O ' ' B' ' 69' ' ' THR . 74.9 m . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 108.37 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.413 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.442 ' CG ' ' HA ' ' B' ' 24' ' ' VAL . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -77.22 -39.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -43.54 -46.31 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -58.55 -72.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.451 ' HG3' ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -41.8 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -66.75 -38.91 87.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.8 mm-40 -58.39 -72.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.79 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -41.87 -38.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.59 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -67.06 -41.01 87.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.13 -37.1 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 11' ' ' GLN . 49.9 mm-40 -59.64 -88.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.713 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 175.71 64.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.713 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -1.59 114.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.635 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.868 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -32.07 153.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.741 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 50.3 mtp180 -91.88 -64.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' ' SG ' ' B' ' 14' ' ' CYS . . . -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.608 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 78.1 m -78.69 -45.48 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 1.071 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -33.33 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -41.94 -64.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.3 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.8 OUTLIER -75.05 -70.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 108.059 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.071 HD12 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -21.82 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 1.023 ' N ' HD13 ' A' ' 22' ' ' ILE . 7.6 ttt180 -87.39 -57.58 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.1 tt0 -51.62 -38.23 53.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -37.23 -44.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 1.023 HD11 ' O ' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -69.68 -50.02 47.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 107.973 -1.121 . . . . 0.0 107.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 10' ' ' LEU . 7.1 mp -75.47 -42.33 53.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' B' ' 14' ' ' CYS . 2.4 ptt-85 -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.504 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 15.5 tt0 -40.76 -40.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.605 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -44.48 -39.95 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.71 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 18' ' ' LEU . 19.2 t -56.62 -47.73 79.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.605 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -38.71 -35.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.5 ' O ' ' CD ' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -67.92 -35.15 77.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.876 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -71.96 -47.23 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -38.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.14 -36.98 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' B' ' 18' ' ' LEU . 3.6 tp10 -88.49 -150.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.555 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 t70 -141.95 -156.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.586 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -73.77 -1.56 19.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.625 HG23 ' SG ' ' B' ' 25' ' ' CYS . 6.5 m -49.31 -44.88 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.755 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -137.57 47.88 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.86 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -79.96 -76.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.031 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -103.54 -9.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.341 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 1.031 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -3.64 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.555 1.819 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.473 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -83.29 -82.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.808 HD22 ' N ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -35.0 -44.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.808 ' N ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -41.84 -55.66 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -83.54 -37.15 23.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.79 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -57.23 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 1.023 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -32.36 -42.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.6 tptt -40.99 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' C ' ' B' ' 37' ' ' VAL . 16.1 m -84.73 -27.53 26.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.846 HG12 ' N ' ' B' ' 38' ' ' ARG . 0.9 OUTLIER -20.01 -76.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.846 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -82.8 -64.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 14.5 t -91.19 80.56 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.678 ' C ' ' H ' ' B' ' 42' ' ' GLN . 1.3 pt20 -85.44 -170.11 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.523 ' C ' ' CG ' ' B' ' 42' ' ' GLN . . . 63.78 -31.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.678 ' H ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER 179.37 106.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.31 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' B' ' 46' ' ' PHE . 8.5 t-80 -71.65 41.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.606 ' O ' ' CZ ' ' B' ' 46' ' ' PHE . . . -27.85 -77.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.162 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 129.59 12.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' B' ' 43' ' ' HIS . 1.6 m-85 -114.5 163.48 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.778 ' O ' ' N ' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -68.5 -37.01 79.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -36.17 -38.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -67.69 -54.76 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' B' ' 48' ' ' SER . 1.1 tp -76.06 -33.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -34.65 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.3 tt0 -38.16 -57.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 1.084 ' CG1' ' H ' ' B' ' 55' ' ' ALA . 0.8 OUTLIER -88.77 -86.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 1.084 ' H ' ' CG1' ' B' ' 54' ' ' ILE . . . 165.75 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 1.3 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 173.13 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.991 ' HB2' HG22 ' B' ' 69' ' ' THR . 0.0 OUTLIER -50.41 -56.2 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 1.014 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 9.4 mt -160.35 -55.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 1.014 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.98 163.4 90.8 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.978 -0.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.834 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 146.64 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.914 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -17.17 -66.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.765 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 73.9 m -103.95 -92.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.765 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 44.1 t30 113.92 21.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.526 ' HE2' ' HB3' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -133.96 112.38 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -5.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -80.07 -26.52 39.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.609 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -98.41 -60.19 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.609 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 135.09 161.33 9.35 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.991 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -97.06 101.2 12.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.725 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.683 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.26 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.19 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.28 -39.64 62.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -39.57 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' B' ' 24' ' ' VAL . 1.3 m -60.08 -74.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.451 HE21 ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -37.83 -39.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.239 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -71.26 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HB3' ' OE1' ' B' ' 21' ' ' GLU . 7.0 mm-40 -38.14 -48.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.223 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' B' ' 33' ' ' ALA . 24.2 t80 -40.36 -66.6 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.608 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -78.86 -49.84 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.083 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -38.59 -37.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 8.7 mm-40 -76.53 -92.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.76 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 174.66 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.76 ' O ' ' O ' ' A' ' 13' ' ' GLN . 26.7 m170 -7.65 130.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.382 1.051 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.747 HD13 ' N ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -39.72 166.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 1.041 ' O ' ' N ' ' A' ' 19' ' ' GLN . 7.7 mtm180 -123.38 -72.05 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -29.3 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.655 ' SG ' HG22 ' B' ' 61' ' ' VAL . 83.2 m -69.65 -25.84 64.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 1.041 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pt20 -31.48 -33.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -55.13 -73.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.81 ' CE3' HG23 ' A' ' 22' ' ' ILE . 0.0 OUTLIER -55.1 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.81 HG23 ' CE3' ' A' ' 21' ' ' TRP . 2.6 pp -29.07 -43.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.664 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -81.62 -48.36 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.7 tp60 -46.06 -36.77 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.06 -38.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' CG ' ' B' ' 43' ' ' HIS . 10.8 mt -45.52 -51.49 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.271 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' GLN . 1.6 mp -70.63 -39.45 73.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -46.78 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 16.7 tt0 -56.24 -41.76 76.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.512 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 37.2 tt0 -48.65 -38.2 20.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 15' ' ' LEU . 2.7 t -53.08 -65.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' B' ' 18' ' ' LEU . 2.5 t -56.53 -47.83 78.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.512 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 0.9 OUTLIER -39.29 -35.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.661 ' CG ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -42.1 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.766 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -82.67 -51.84 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.623 ' CE1' ' CE ' ' B' ' 64' ' ' MET . 0.2 OUTLIER -40.02 -41.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.9 OUTLIER -39.28 -37.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 20' ' ' GLN . 5.4 tp10 -60.12 -132.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' B' ' 24' ' ' VAL . 22.8 t0 -134.25 150.6 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.798 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.6 mp0 -44.0 -24.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' B' ' 22' ' ' ASP . 15.4 m -46.32 -38.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.951 ' HB3' HG23 ' B' ' 29' ' ' THR . 1.8 m -104.3 59.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.337 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.878 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.1 t -82.67 -87.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 0.986 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.6 OUTLIER -90.95 -16.79 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.324 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.986 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -8.03 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.951 HG23 ' HB3' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -75.92 -60.59 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.978 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -64.49 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.6 OUTLIER -38.34 -35.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.377 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.451 ' NE2' HE21 ' A' ' 6' ' ' GLN . 0.0 OUTLIER -56.69 -43.65 80.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.633 ' HB2' ' CE2' ' A' ' 9' ' ' PHE . . . -73.95 -50.17 21.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HE1' ' B' ' 52' ' ' TYR . . . -39.19 -43.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.568 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 8.2 tttp -50.3 -41.8 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.569 ' N ' ' O ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER -82.56 -43.26 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' B' ' 38' ' ' ARG . 98.4 t -39.41 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.7 ttt180 -36.04 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.693 ' O ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -19.6 103.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 3.1 pt20 -0.4 -112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.4 -95.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.57 -0.95 44.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 110.229 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.634 ' CG ' HD22 ' A' ' 26' ' ' LEU . 3.3 t-160 -137.88 67.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -20.91 -65.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.505 ' O ' ' O ' ' B' ' 43' ' ' HIS . 18.1 Cg_endo -74.93 155.16 43.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.94 138.92 39.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 1.026 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.9 OUTLIER -171.74 41.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.6 OUTLIER -66.8 -56.86 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -37.54 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.2 OUTLIER -74.78 -72.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 1.026 HG22 ' O ' ' B' ' 47' ' ' GLN . 2.4 tp -38.6 -45.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -38.65 -55.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' B' ' 54' ' ' ILE . 36.3 mt-30 -82.04 -42.3 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' B' ' 51' ' ' ILE . 1.1 mm -40.27 -82.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.751 ' CB ' ' HE1' ' A' ' 21' ' ' TRP . . . -88.21 -175.3 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.754 ' HA ' ' C ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 170.97 -11.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.788 HD21 ' N ' ' B' ' 63' ' ' ASN . 45.4 t30 -149.96 -38.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.939 ' N ' ' HA ' ' B' ' 59' ' ' PRO . 4.4 mt 161.89 -47.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.94 142.72 75.61 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.848 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 4.7 m-20 160.52 -62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 57' ' ' ASN . 2.4 t 0.8 -80.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.694 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -100.86 -57.69 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.788 ' N ' HD21 ' B' ' 57' ' ' ASN . 9.3 t-20 90.63 20.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.623 ' CE ' ' CE1' ' B' ' 19' ' ' TYR . 21.6 mtm -117.44 92.16 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -68.51 1.22 3.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' B' ' 64' ' ' MET . 1.8 pm0 -74.64 -52.57 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.569 ' CD1' ' HE3' ' B' ' 64' ' ' MET . 0.0 OUTLIER -72.09 -83.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' B' ' 26' ' ' VAL . . . 177.22 145.22 5.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.687 ' HB ' ' O ' ' B' ' 56' ' ' LYS . 1.0 OUTLIER -128.64 144.01 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.799 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 38.0 m . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 108.365 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.459 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 8.9 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.07 129.25 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -40.6 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HB3' ' OE2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -56.52 -41.32 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -45.6 94.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.154 . . . . 0.0 108.361 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -63.03 -48.91 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.369 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -53.52 52.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.7 mt-10 -39.52 -47.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.697 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -54.29 -65.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.068 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -61.39 -39.31 90.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -38.13 -42.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.59 -93.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.7 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 176.41 64.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.7 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 3.8 80.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.601 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.832 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -33.79 155.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.7 mtt180 -80.59 -52.89 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 11' ' ' ARG . . . -38.79 -28.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.76 ' SG ' HD23 ' A' ' 15' ' ' LEU . 4.0 m -76.1 -39.96 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 108.283 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.6 mt-30 -43.65 -43.3 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -62.0 -32.78 73.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.969 ' CD1' HG21 ' B' ' 61' ' ' VAL . 1.6 t90 -36.1 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 1.115 ' CG2' HG11 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -78.14 -52.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.639 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 66.6 ttt-85 -38.05 -51.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 8.8 tm0? -53.15 -43.43 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.218 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.73 -52.87 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.66 ' HG ' HD12 ' A' ' 22' ' ' ILE . 6.1 mt -39.67 -47.06 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m95 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 107.964 -1.124 . . . . 0.0 107.964 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.43 ' HA ' HD12 ' B' ' 10' ' ' LEU . 0.3 OUTLIER -78.23 -45.2 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -47.78 -42.11 25.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 16' ' ' ASN . 17.7 mt-10 -48.23 -39.8 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' B' ' 17' ' ' GLU . 84.7 mt-30 -49.32 -58.82 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.663 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -52.61 -45.38 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.618 ' HA ' HD21 ' B' ' 18' ' ' LEU . 2.1 t -59.92 -40.47 88.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -70.07 -38.43 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' B' ' 13' ' ' GLN . 11.0 mm-40 -62.4 -52.74 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.663 HD23 ' O ' ' B' ' 14' ' ' CYS . 0.6 OUTLIER -63.1 -42.52 99.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' B' ' 15' ' ' CYS . 0.4 OUTLIER -52.25 -42.28 63.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -77.3 -30.74 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.82 -150.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -123.55 121.27 35.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.6 ' HA ' HG23 ' B' ' 26' ' ' VAL . 1.2 pp0? -48.52 -13.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' SG ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -34.48 -41.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.925 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 24.1 m -120.77 55.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 108.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.797 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 1.2 t -97.11 -67.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 0.944 ' HA ' HD21 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -76.27 -32.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -74.99 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.784 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -86.17 -68.92 0.7 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -29.75 -52.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -44.04 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' B' ' 29' ' ' THR . 0.0 OUTLIER -78.29 -62.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.899 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -47.4 -48.03 26.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.801 ' HA ' HG21 ' A' ' 22' ' ' ILE . . . -44.2 -53.14 6.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.907 ' O ' HG22 ' B' ' 39' ' ' VAL . 4.7 tptt -59.06 -67.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 37' ' ' VAL . 31.1 t -54.16 -37.36 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 1.115 HG11 ' CG2' ' A' ' 22' ' ' ILE . 2.5 t -35.83 -92.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.88 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -103.83 -78.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.907 HG22 ' O ' ' B' ' 35' ' ' LYS . 0.7 OUTLIER 7.49 116.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -179.07 -115.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . -67.96 -84.49 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -9.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.546 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 21.4 t60 -133.73 57.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.822 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -78.62 -28.05 55.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.1 Cg_endo -74.95 128.44 11.52 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.572 1.827 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.693 ' CE2' ' CE ' ' B' ' 35' ' ' LYS . 3.0 m-85 -97.67 142.53 29.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.571 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -166.0 6.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.721 ' O ' ' N ' ' B' ' 52' ' ' TYR . 68.7 m -82.45 -37.47 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.562 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -68.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.6 OUTLIER -52.96 -34.41 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -32.35 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -39.15 -35.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 1.215 ' O ' ' O ' ' B' ' 55' ' ' ALA . 3.0 mt -80.77 -38.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 1.215 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 10.43 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER 170.51 131.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.954 ' ND2' ' HB ' ' B' ' 61' ' ' VAL . 0.1 OUTLIER -8.44 -54.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 1.096 ' HG ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -171.35 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.97 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 156.41 99.86 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.902 -2.541 . . . . 0.0 110.974 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.972 ' CB ' HD12 ' B' ' 58' ' ' LEU . 6.5 m-20 154.97 -85.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.07 . . . . 0.0 109.333 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 1.096 HG23 ' HG ' ' B' ' 58' ' ' LEU . 45.1 t 8.86 -101.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.73 ' N ' HG12 ' B' ' 61' ' ' VAL . 1.5 m -113.75 -45.97 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.673 ' HA ' ' OD1' ' B' ' 57' ' ' ASN . 18.5 m-20 82.99 21.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.505 ' O ' ' O ' ' B' ' 68' ' ' GLY . 8.5 mmt -51.19 80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' B' ' 63' ' ' ASN . 3.0 ttpt -71.84 -1.12 13.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.06 -36.63 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.624 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.8 OUTLIER -93.77 -61.52 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.624 ' N ' HG22 ' B' ' 67' ' ' ILE . . . -176.55 -179.7 47.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.687 HG23 ' SG ' ' B' ' 70' ' ' CYS . 5.1 t -102.0 -125.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.687 ' SG ' HG23 ' B' ' 69' ' ' THR . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.416 ' H1 ' ' NE2' ' A' ' 1' ' ' GLN . 2.8 mp0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.82 11.76 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.53 -42.09 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -37.79 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' B' ' 24' ' ' VAL . 8.7 t -49.72 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -53.15 18.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.516 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 17.0 mmm-85 -40.17 -42.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -64.94 -80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -38.19 -32.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 111.031 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.565 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -82.14 -40.39 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 8' ' ' GLU . 7.6 mm100 -82.46 -37.3 25.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -46.48 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 179.11 50.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 1.31 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.029 HD12 ' HG2' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -40.61 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.783 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.4 ttt-85 -113.25 -40.27 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.04 -35.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.993 ' O ' HG22 ' A' ' 22' ' ' ILE . 81.4 m -81.73 -33.01 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.248 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.94 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . 1.5 tm0? -33.29 -28.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.91 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.986 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -72.55 -60.79 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -22.02 -51.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HA ' HG11 ' B' ' 37' ' ' VAL . 0.6 OUTLIER -82.84 -52.75 6.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 34.1 tt0 -49.84 -47.8 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.542 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 1.3 tm0? -46.86 -58.66 3.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.762 HD11 ' O ' ' B' ' 34' ' ' ALA . 19.0 mt -46.5 -49.07 18.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 m95 . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 107.983 -1.118 . . . . 0.0 107.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.508 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -71.17 -41.75 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' B' ' 14' ' ' CYS . 1.2 ptp180 -40.67 -44.62 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -41.11 -44.05 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 14.4 mm-40 -48.34 -40.99 27.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.448 ' SG ' ' HG ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -53.01 -47.61 68.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' B' ' 61' ' ' VAL . 50.5 t -68.53 -60.62 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -40.12 -39.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 1.029 ' HG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.72 -38.12 83.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.607 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -79.11 -43.8 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -62.25 -51.87 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 19' ' ' TYR . 4.7 mt-30 -38.52 -38.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' OE2' ' A' ' 8' ' ' GLU . 6.0 tp10 -82.07 -142.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.496 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -113.87 120.21 39.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' B' ' 25' ' ' CYS . 4.5 pp0? -45.88 -16.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 26' ' ' VAL . 0.5 OUTLIER -37.21 -31.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.669 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 70.9 m -78.06 38.55 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 108.248 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.828 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.3 t -37.03 -85.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.049 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -126.33 4.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 1.049 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -10.84 21.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -83.22 -74.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 1.003 ' HG ' ' HB3' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -35.45 -38.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.686 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 13.7 mttt -40.81 -61.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 36' ' ' SER . 0.2 OUTLIER -83.73 -38.34 21.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.769 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -50.96 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.762 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -51.87 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.498 ' O ' ' C ' ' B' ' 37' ' ' VAL . 0.5 OUTLIER -85.87 -39.74 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.855 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.1 t -31.77 -84.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.855 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -92.83 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.86 HG21 ' CD2' ' B' ' 43' ' ' HIS . 6.3 m -63.55 179.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.38 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.78 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.61 1.194 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -6.3 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.86 ' CD2' HG21 ' B' ' 39' ' ' VAL . 0.2 OUTLIER -104.44 47.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -64.46 -44.27 95.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.6 Cg_endo -74.91 128.86 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.53 ' O ' ' HB ' ' B' ' 49' ' ' THR . 3.9 m-85 -100.72 20.44 15.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.9 -14.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.884 ' HA ' HG23 ' B' ' 51' ' ' ILE . 3.2 m -75.52 -35.69 60.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -33.89 -38.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' B' ' 48' ' ' SER . 8.4 ttt180 -80.11 -59.7 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.884 HG23 ' HA ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -59.86 -42.31 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.686 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -31.77 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.5 tm0? -38.22 -36.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' B' ' 55' ' ' ALA . 11.3 pt -62.98 -59.04 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 1.069 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 14.18 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.986 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 167.93 114.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 1.001 ' HB2' HG22 ' B' ' 69' ' ' THR . 0.1 OUTLIER -35.01 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.975 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 2.7 mt -161.03 -55.16 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.975 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -75.08 164.26 88.77 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.995 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.946 ' CB ' HD12 ' B' ' 58' ' ' LEU . 2.7 m-20 159.41 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.922 HG11 ' OD1' ' B' ' 57' ' ' ASN . 7.8 p 9.48 -124.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.874 ' H ' HG13 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -68.85 -91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER 146.61 56.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.593 ' CG ' ' O ' ' B' ' 64' ' ' MET . 11.1 ptp -140.72 108.05 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -0.44 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -76.85 -26.65 54.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.607 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -100.72 -61.56 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.607 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 133.36 158.38 8.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 1.001 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -107.47 119.02 38.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 1.003 ' HB3' ' HG ' ' B' ' 30' ' ' LEU . 1.5 m . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.472 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 3.4 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.472 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -74.99 129.14 12.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.05 -53.66 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -45.24 -42.18 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.54 -60.93 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.604 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -64.63 -57.72 8.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.02 -63.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 22.7 mt-10 -36.82 -36.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.885 ' CE2' ' CE1' ' A' ' 14' ' ' HIS . 8.8 t80 -53.56 -70.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.9 tt0 -73.45 -38.96 65.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -36.84 -42.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -89.62 -93.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 1.002 ' O ' ' O ' ' A' ' 14' ' ' HIS . 1.8 mt-30 178.93 73.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 1.002 ' O ' ' O ' ' A' ' 13' ' ' GLN . 9.9 m170 -4.0 139.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.596 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.775 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.96 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 19' ' ' GLN . 2.4 mtt180 -116.5 -64.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.03 -35.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.79 -39.88 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -48.26 -32.89 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -39.77 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.869 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -53.19 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.011 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.659 HG12 ' CH2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -30.26 -48.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -88.21 -64.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.8 tp60 -39.85 -36.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG3' HD11 ' B' ' 51' ' ' ILE . 4.7 tm0? -35.38 -39.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.793 HD13 ' HB2' ' B' ' 43' ' ' HIS . 4.3 mt -56.41 -50.74 70.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 108.04 -1.096 . . . . 0.0 108.04 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -40.9 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -53.69 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 16' ' ' ASN . 14.5 mt-10 -40.78 -42.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 12.7 tt0 -45.89 -48.4 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -50.51 -51.23 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.585 1.178 . . . . 0.0 108.265 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -67.68 -61.17 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.516 ' N ' ' SG ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -37.38 -35.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -79.76 -38.77 32.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.971 HD13 HG11 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -83.63 -53.29 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -33.58 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 18' ' ' LEU . 1.1 mm-40 -54.06 -36.87 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -81.05 -151.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.705 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -130.02 113.76 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 1.002 ' HA ' ' HB ' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -50.09 -6.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.631 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -39.31 -42.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 1.07 ' O ' HG23 ' B' ' 29' ' ' THR . 18.4 m -131.57 3.32 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 1.002 ' HB ' ' HA ' ' B' ' 23' ' ' GLN . 26.7 t -84.28 -24.11 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 0.645 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.8 OUTLIER -86.84 -45.12 0.54 Allowed Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 108.29 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 1.07 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -65.19 -38.19 89.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.809 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -48.34 -52.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HB2' ' CD2' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -40.6 -38.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.07 -43.4 78.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.808 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -57.97 -38.65 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 38' ' ' ARG . . . -64.97 -39.27 93.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 0.9 OUTLIER -37.75 -58.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.0 m -69.61 -51.21 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 33' ' ' ALA . 29.1 t -53.73 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.693 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -13.02 -73.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.693 ' C ' ' O ' ' B' ' 38' ' ' ARG . 54.1 t 0.9 81.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 2.6 tt0 0.65 -109.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 45.01 -94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -83.28 -4.46 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.793 ' HB2' HD13 ' A' ' 26' ' ' LEU . 5.8 t-160 -118.18 54.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.623 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.634 ' O ' ' CE1' ' B' ' 46' ' ' PHE . . . -32.46 -55.99 0.45 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.3 Cg_endo -74.89 150.62 38.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' B' ' 44' ' ' GLY . 1.0 OUTLIER -115.92 139.57 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 1.055 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -174.73 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.683 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.7 OUTLIER -55.54 -56.89 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -38.72 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' B' ' 53' ' ' GLN . 0.4 OUTLIER -81.18 -72.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 1.055 HG22 ' O ' ' B' ' 47' ' ' GLN . 1.2 tp -36.44 -36.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' B' ' 48' ' ' SER . 3.4 m-30 -63.16 -52.68 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 50' ' ' ARG . 3.2 tm0? -81.42 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.709 ' CG1' ' HA ' ' B' ' 51' ' ' ILE . 2.0 pp -36.08 -69.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.662 ' H ' HG13 ' B' ' 54' ' ' ILE . . . -60.27 174.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.767 ' O ' ' HA ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 177.74 -100.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.924 ' HA ' ' O ' ' B' ' 69' ' ' THR . 2.0 t-20 -53.73 -45.36 70.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.892 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 1.9 mt 174.4 -52.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.892 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 150.88 96.18 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.992 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.889 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 1.0 OUTLIER 155.11 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.809 HG12 ' N ' ' B' ' 62' ' ' CYS . 2.0 t 2.5 -82.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.223 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.809 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -92.6 -90.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 108.32 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 16.6 m-20 144.75 46.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -135.29 90.28 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.84 -3.15 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' B' ' 67' ' ' ILE . 1.7 pt20 -70.92 -41.11 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -122.31 -58.05 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 109.76 144.28 10.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.924 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 36.2 m -135.57 91.39 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.767 ' HA ' ' O ' ' B' ' 56' ' ' LYS . 1.9 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.367 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 1' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.488 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.96 129.25 12.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.68 -43.78 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.83 -39.82 74.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.489 ' SG ' HG13 ' B' ' 24' ' ' VAL . 1.5 m -56.94 -66.78 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -38.28 -39.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -75.39 -64.25 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -39.09 -39.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 28.9 t80 -45.67 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -79.16 -40.16 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -51.51 -36.4 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 6.0 mm-40 -74.32 -90.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.697 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 173.96 72.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.225 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.697 ' C ' ' O ' ' A' ' 13' ' ' GLN . 21.3 m170 -7.18 120.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 109.547 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.08 174.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 18' ' ' CYS . 69.6 mtm-85 -119.05 -72.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.487 ' C ' ' N ' ' A' ' 19' ' ' GLN . . . -34.75 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.626 ' SG ' HD23 ' A' ' 15' ' ' LEU . 50.7 m -42.04 -25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.577 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 3.8 mm-40 -35.58 -50.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 23' ' ' ARG . 3.7 mt-30 -57.72 -39.52 77.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.927 ' CH2' ' O ' ' B' ' 56' ' ' LYS . 0.7 OUTLIER -41.45 -67.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.822 ' C ' HD12 ' A' ' 22' ' ' ILE . 0.2 OUTLIER -77.71 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 3.6 ttt180 -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 5.9 tt0 -54.76 -41.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -48.99 -55.26 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.579 HD22 ' ND1' ' B' ' 43' ' ' HIS . 11.3 mt -60.12 -42.59 95.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 108.038 -1.097 . . . . 0.0 108.038 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.78 -49.94 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.484 ' CZ ' ' OE1' ' B' ' 12' ' ' GLU . 21.7 ptt85 -52.87 -43.88 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . 0.484 ' OE1' ' CZ ' ' B' ' 11' ' ' ARG . 0.3 OUTLIER -71.92 -40.58 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 17' ' ' GLU . 1.5 mm100 -47.86 -55.07 10.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -48.46 74.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.644 ' HB2' HG13 ' B' ' 61' ' ' VAL . 2.4 t -58.22 -38.89 77.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -71.09 -37.68 72.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -56.67 -39.01 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.874 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -39.22 44.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.451 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.3 OUTLIER -58.64 -71.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -39.63 -35.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' B' ' 20' ' ' GLN . 0.6 OUTLIER -60.4 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.495 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -115.12 116.89 29.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -47.05 -15.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.495 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -36.97 -31.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.59 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 81.8 m -96.87 55.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.756 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.4 t -33.53 -83.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.004 ' N ' ' HD3' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -138.86 22.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 1.004 ' HD3' ' N ' ' B' ' 27' ' ' CYS . 18.3 Cg_endo -74.99 -25.64 11.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.457 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.3 OUTLIER -67.01 -74.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.94 HD21 ' HA ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -36.0 -39.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -38.49 -55.22 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -81.86 -48.57 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.722 ' HB3' ' HA ' ' B' ' 30' ' ' LEU . . . -42.32 -49.61 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' B' ' 35' ' ' LYS . . . -74.81 -41.19 60.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 13.8 tptm -39.06 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.499 ' O ' HG22 ' B' ' 39' ' ' VAL . 19.7 m -80.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.81 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -50.82 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.81 ' N ' HG12 ' B' ' 37' ' ' VAL . 1.1 mmt180 -23.02 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.692 ' C ' ' O ' ' B' ' 38' ' ' ARG . 2.5 m -7.34 109.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' B' ' 39' ' ' VAL . 12.0 tm0? -34.28 150.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.1 -43.5 0.63 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -125.53 -3.83 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.784 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 38.5 t60 -149.9 59.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.557 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . 33.93 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 40' ' ' GLN . 18.3 Cg_endo -75.02 157.75 42.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.55 1.816 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . 0.784 ' CE2' ' CD2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -156.28 145.9 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.7 OUTLIER -87.83 41.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.677 ' O ' ' N ' ' B' ' 52' ' ' TYR . 76.0 p -67.64 -53.2 29.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.477 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -32.38 -37.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -82.99 -72.36 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.764 HG23 ' HE3' ' B' ' 56' ' ' LYS . 4.4 tp -51.06 -38.83 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.677 ' N ' ' O ' ' B' ' 48' ' ' SER . 19.8 t80 -40.59 -33.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 52' ' ' TYR . 2.9 tm0? -35.69 -72.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 1.034 HG23 ' H ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -80.35 -77.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 1.077 ' HB3' HG23 ' B' ' 69' ' ' THR . . . -178.37 -147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.927 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -178.63 86.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.982 ' O ' HG23 ' B' ' 61' ' ' VAL . 0.2 OUTLIER -35.68 -56.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.968 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.3 OUTLIER 172.05 -53.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.968 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.1 Cg_endo -75.12 160.41 96.49 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.932 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.807 ' HB2' ' CB ' ' B' ' 58' ' ' LEU . 1.5 m120 160.64 -68.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 0.982 HG12 ' SG ' ' B' ' 62' ' ' CYS . 58.0 t 0.35 -106.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.982 ' SG ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -122.74 7.6 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.457 ' CG ' ' C ' ' B' ' 62' ' ' CYS . 0.1 OUTLIER 44.21 38.64 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.535 ' CG ' ' SG ' ' B' ' 62' ' ' CYS . 0.3 OUTLIER -66.84 81.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 12.7 tttm -72.65 -1.78 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.68 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.477 ' H ' HD13 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -79.22 -83.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.91 33.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 1.077 HG23 ' HB3' ' B' ' 55' ' ' ALA . 0.5 OUTLIER -81.76 -169.81 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.433 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.832 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 1.3 m . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.402 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -75.09 130.68 13.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.47 -33.43 64.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.0 mtmm -36.56 -51.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -63.45 -76.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -36.79 -38.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 ttt-85 -78.52 -46.68 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -40.53 -40.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 110.231 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' B' ' 33' ' ' ALA . 3.1 t80 -34.83 -68.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 2.2 tt0 -85.18 -36.54 20.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -50.94 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.729 ' CG ' ' H ' ' A' ' 13' ' ' GLN . 1.1 pt-20 -73.66 -87.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.729 ' H ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 mt-30 171.99 72.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.688 ' C ' ' O ' ' A' ' 13' ' ' GLN . 20.1 m170 10.17 87.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.802 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -27.11 148.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.753 ' O ' ' N ' ' A' ' 19' ' ' GLN . 21.3 mtt-85 -103.23 -52.02 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.38 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.649 ' O ' ' N ' ' A' ' 21' ' ' TRP . 63.5 m -58.45 -27.68 64.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -35.88 -39.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -75.2 -37.57 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 1.131 ' CD1' HG21 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -53.39 -51.7 61.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.98 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.97 HG21 HG21 ' B' ' 37' ' ' VAL . 2.4 pp -75.76 -57.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.763 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -37.25 -57.48 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . 0.57 ' CG ' HD13 ' B' ' 58' ' ' LEU . 1.1 tt0 -49.51 -36.65 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -49.88 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' CD ' ' B' ' 38' ' ' ARG . 3.8 mt -49.12 -48.35 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.5 m-90 . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.71 -40.78 61.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -55.21 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.39 -41.09 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -53.4 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -52.72 -38.47 60.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' B' ' 61' ' ' VAL . 49.8 t -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.745 ' O ' ' N ' ' B' ' 20' ' ' GLN . 0.8 OUTLIER -55.75 -36.17 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 38.4 mm-40 -48.73 -47.25 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.892 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.83 -42.52 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.631 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -69.36 -35.23 75.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' B' ' 16' ' ' ASN . 1.2 mt-30 -37.3 -40.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 24' ' ' VAL . 3.1 tp10 -101.72 -146.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.54 ' C ' HG23 ' B' ' 26' ' ' VAL . 0.4 OUTLIER -125.79 -154.23 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.627 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.8 pt20 -48.28 -22.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 21' ' ' GLU . 1.0 OUTLIER -47.47 -54.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 0.594 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 1.3 p -127.2 39.66 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 0.894 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -63.89 -77.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.084 ' H ' ' HD3' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -120.54 1.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 108.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 1.084 ' HD3' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -75.06 -13.19 21.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -72.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -40.79 -38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' B' ' 52' ' ' TYR . 21.6 mtpt -39.21 -67.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -73.41 -46.46 48.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.673 ' HB3' ' HA ' ' B' ' 30' ' ' LEU . . . -39.31 -44.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.627 ' HA ' ' HB ' ' B' ' 37' ' ' VAL . . . -72.39 -36.37 68.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.803 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -33.76 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 30.5 m -59.6 -37.88 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.97 HG21 HG21 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -36.19 -69.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.887 ' CD ' HD11 ' A' ' 26' ' ' LEU . 6.1 mmp_? -95.75 -103.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 39' ' ' VAL . 1.1 m 12.11 51.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' B' ' 38' ' ' ARG . 15.9 tm0? 175.68 156.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . 64.67 -140.05 42.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -7.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.971 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 27.8 t60 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.615 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.979 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -82.09 -10.0 84.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . 0.979 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.05 129.43 12.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -94.49 154.29 17.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.43 ' O ' HG23 ' B' ' 51' ' ' ILE . 0.0 OUTLIER 178.23 -23.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.658 ' OG ' ' CE1' ' B' ' 52' ' ' TYR . 1.4 p -38.78 -35.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.79 -53.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -62.92 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.897 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -41.35 -35.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.658 ' CE1' ' OG ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -32.64 -46.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.15 -39.7 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 1.073 ' O ' ' O ' ' B' ' 55' ' ' ALA . 4.8 mm -77.57 -45.28 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 1.073 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 12.16 -155.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.268 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.673 ' HA ' HG23 ' B' ' 69' ' ' THR . 0.0 OUTLIER 168.78 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.904 ' O ' HD23 ' B' ' 58' ' ' LEU . 1.0 OUTLIER -25.27 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 0.936 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.9 OUTLIER -158.21 -54.77 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.936 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 160.57 96.35 Favored 'Cis proline' 0 C--N 1.359 1.099 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.0 0.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.741 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 1.3 m120 151.61 -59.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 1.131 HG21 ' CD1' ' A' ' 21' ' ' TRP . 3.2 t -22.61 -86.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.741 ' N ' HG12 ' B' ' 61' ' ' VAL . 80.5 m -115.32 -32.42 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.465 ' H ' ' ND2' ' B' ' 57' ' ' ASN . 32.9 m-20 64.87 30.72 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.62 ' HE3' ' CE1' ' B' ' 19' ' ' TYR . 28.5 mtm -114.62 94.1 4.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 4.49 20.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -63.31 -26.0 68.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.59 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -116.71 -60.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.59 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 175.63 149.32 7.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.673 HG23 ' HA ' ' B' ' 56' ' ' LYS . 1.4 t -143.49 123.54 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.957 ' HB2' HD23 ' B' ' 30' ' ' LEU . 61.2 m . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 108.348 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLN . . . . . 0.4 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 2.7 tp60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.3 Cg_endo -74.93 129.19 12.17 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.32 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -42.88 -40.48 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLN . . . . . 0.497 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -46.18 -45.2 16.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -61.44 -59.25 5.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.504 ' HA ' ' HB2' ' A' ' 11' ' ' GLN . 4.7 mm-40 -40.34 -48.4 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -46.79 -61.86 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.1 tt0 -68.28 -37.07 80.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -36.56 -38.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.173 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -92.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER 176.88 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 24.0 m170 1.3 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.823 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -44.2 161.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.77 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 34.1 mtm180 -109.93 -44.05 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.16 -36.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' CYS . . . . . 0.668 ' SG ' HG22 ' B' ' 61' ' ' VAL . 99.4 m -84.04 -38.95 20.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 22' ' ' ILE . 2.3 pt20 -36.1 -37.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.66 -53.48 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.9 ' CZ2' HD23 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.38 -51.2 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 108.038 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 19' ' ' GLN . 11.4 mt -35.37 -47.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.73 -56.87 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -45.51 -39.85 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.533 ' OE1' HD11 ' B' ' 54' ' ' ILE . 0.0 OUTLIER -39.81 -50.28 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 HG12 ' B' ' 39' ' ' VAL . 13.3 mt -43.57 -47.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.331 0 N-CA-C 108.001 -1.111 . . . . 0.0 108.001 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' LEU . . . . . 0.562 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -79.43 -40.54 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -58.03 -65.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -47.37 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -47.37 -45.96 25.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.209 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -48.52 -52.15 23.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' CYS . . . . . 0.53 ' SG ' ' CD1' ' B' ' 19' ' ' TYR . 1.3 t -62.91 -56.74 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 1.191 . . . . 0.0 108.358 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -39.36 -36.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLU . . . . . 0.758 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -50.6 -47.48 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' LEU . . . . . 0.784 ' O ' HD12 ' B' ' 18' ' ' LEU . 0.1 OUTLIER -83.84 -39.5 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' SG ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -55.95 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.39 -33.78 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -74.65 -143.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' ASP . . . . . 0.706 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.86 100.06 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -51.74 -0.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.706 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.3 OUTLIER -24.03 -41.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' CYS . . . . . 1.25 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -47.51 -94.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' VAL . . . . . 1.25 HG23 ' O ' ' B' ' 25' ' ' CYS . 2.8 t 160.86 -91.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' CYS . . . . . 1.335 ' H ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -164.25 5.03 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' PRO . . . . . 1.335 ' CD ' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' THR . . . . . 0.525 HG23 ' SG ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -54.34 -41.05 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.359 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.9 HD23 ' CZ2' ' A' ' 21' ' ' TRP . 0.2 OUTLIER -37.75 -62.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.749 ' HA ' ' CE2' ' B' ' 52' ' ' TYR . 19.9 mttt -46.59 -55.99 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLN . . . . . 0.572 ' HA ' ' HB3' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -48.76 -36.02 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' B' ' 30' ' ' LEU . . . -52.23 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' ALA . . . . . 0.648 ' HB3' ' OH ' ' B' ' 52' ' ' TYR . . . -65.23 -39.13 92.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.581 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -47.34 -52.27 16.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 93.6 p -85.34 -49.68 7.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' VAL . . . . . 0.857 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -37.24 -87.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ARG . . . . . 0.857 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.1 OUTLIER -96.19 -104.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.233 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.718 ' C ' ' O ' ' B' ' 38' ' ' ARG . 0.6 OUTLIER 2.68 105.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 43' ' ' HIS . 26.3 tt0 178.16 160.32 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.25 -103.77 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -7.69 24.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 0.756 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 40' ' ' GLN . 4.9 t60 -143.21 55.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . -54.23 -117.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.582 1.176 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.37 12.24 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.519 1.8 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -122.11 175.65 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' GLN . . . . . 0.624 ' O ' HG22 ' B' ' 51' ' ' ILE . 53.9 mm-40 -78.23 7.35 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' SER . . . . . 0.9 ' HA ' HG23 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -65.39 -33.61 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' THR . . . . . 0.451 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -36.55 -47.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -82.92 -72.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ILE . . . . . 0.906 HD13 ' N ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.0 -37.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' TYR . . . . . 0.906 ' N ' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -35.37 -53.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 54' ' ' ILE . 0.8 OUTLIER -38.26 -35.85 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' ILE . . . . . 0.698 HD12 ' N ' ' B' ' 55' ' ' ALA . 2.0 pp -36.8 -70.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ALA . . . . . 0.698 ' N ' HD12 ' B' ' 54' ' ' ILE . . . -68.72 -165.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' B' ' 54' ' ' ILE . 0.0 OUTLIER 179.76 -87.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ASN . . . . . 0.835 ' O ' ' HG ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -66.65 -41.32 88.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' LEU . . . . . 1.0 ' HG ' HG23 ' B' ' 61' ' ' VAL . 3.0 mt 169.78 -51.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' PRO . . . . . 0.898 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -74.95 152.87 98.76 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.987 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' ASN . . . . . 0.809 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 6.7 m-20 153.32 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' VAL . . . . . 1.0 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -14.77 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' CYS . . . . . 0.749 ' N ' HG12 ' B' ' 61' ' ' VAL . 89.5 m -82.37 -74.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 77.2 22.21 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' MET . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' GLN . 20.3 mtm -100.26 92.66 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -59.38 -2.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.7 OUTLIER -79.72 -49.68 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' ILE . . . . . 0.614 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.1 OUTLIER -99.42 -61.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLY . . . . . 0.614 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 143.43 177.86 18.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.604 1.19 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' THR . . . . . 0.67 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -100.96 162.01 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 26' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.485 ' O ' ' CG ' ' A' ' 1' ' ' GLN . 1.7 tm0? . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.302 -0.259 . . . . 0.0 110.302 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.413 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.04 129.25 12.13 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.543 1.812 . . . . 0.0 111.009 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -75.0 -39.95 60.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.323 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.6 mttm -56.66 -40.85 76.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.491 1.12 . . . . 0.0 109.267 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 3.3 m -56.87 -68.01 0.26 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.534 1.146 . . . . 0.0 108.332 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -38.0 51.41 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.529 ' O ' ' N ' ' A' ' 11' ' ' GLN . 12.3 mmt85 -64.75 -71.65 0.17 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.13 . . . . 0.0 110.36 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.442 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.4 OUTLIER -37.19 -41.19 0.37 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 110.264 179.942 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.763 ' HZ ' ' HB2' ' B' ' 33' ' ' ALA . 2.4 t80 -52.45 -67.84 0.22 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 0.0 110.979 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.571 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.2 OUTLIER -77.38 -48.1 18.15 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.527 1.142 . . . . 0.0 110.307 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.529 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -40.41 -36.91 0.61 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.137 . . . . 0.0 110.32 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.442 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 10.1 mm-40 -75.92 -91.6 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.305 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.706 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 174.2 71.21 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.398 1.061 . . . . 0.0 110.352 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.706 ' C ' ' O ' ' A' ' 13' ' ' GLN . 28.0 m170 -5.32 113.57 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.402 0 O-C-N 124.451 1.095 . . . . 0.0 109.614 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.727 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -41.34 162.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.11 . . . . 0.0 109.311 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.605 ' O ' ' N ' ' A' ' 19' ' ' GLN . 33.4 mtt85 -114.96 -46.37 2.92 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.527 1.142 . . . . 0.0 110.347 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -47.09 -29.17 2.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 109.385 179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.554 ' HB3' ' CG2' ' A' ' 22' ' ' ILE . 4.5 m -79.09 -30.99 44.19 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.388 1.055 . . . . 0.0 108.315 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.727 ' HA ' ' CG1' ' A' ' 22' ' ' ILE . 0.8 OUTLIER -35.08 -32.77 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.462 1.101 . . . . 0.0 110.324 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.494 ' N ' ' O ' ' A' ' 18' ' ' CYS . 2.1 mt-30 -59.13 -83.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.422 1.076 . . . . 0.0 110.347 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.03 ' CE3' HD23 ' B' ' 58' ' ' LEU . 0.1 OUTLIER -53.09 -63.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 108.001 179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.906 HD13 HD12 ' B' ' 73' ' ' ILE . 1.2 pp -30.09 -45.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.675 ' N ' HD12 ' A' ' 22' ' ' ILE . 65.4 ttt-85 -84.69 -69.96 0.61 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.569 1.168 . . . . 0.0 110.355 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.443 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.3 tm0? -40.37 -40.92 1.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 110.265 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.503 ' N ' ' O ' ' A' ' 21' ' ' TRP . 1.6 tp60 -39.26 -38.66 0.54 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 110.358 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.882 HD23 ' CZ ' ' B' ' 46' ' ' PHE . 27.3 mt -39.7 -48.61 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -44.16 166.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 109.262 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 141.82 48.57 0.05 OUTLIER Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.488 1.117 . . . . 0.0 110.964 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 98.8 p -174.12 88.44 0.35 Allowed Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 0.735 . . . . 0.0 109.983 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 134.72 18.26 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.418 1.747 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.58 ' C ' ' CD1' ' A' ' 31' ' ' PHE . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.41 ' O ' ' CG ' ' B' ' 1' ' ' GLN . 5.7 pt20 . . . . . 0 N--CA 1.454 -0.275 0 N-CA-C 110.316 -0.253 . . . . 0.0 110.316 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -65.66 148.13 52.26 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.992 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 50.91 64.2 3.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.481 1.113 . . . . 0.0 110.999 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.91 134.82 18.44 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.484 1.781 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -169.38 40.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.262 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -165.05 152.64 11.23 Favored 'General case' 0 C--N 1.327 -0.4 0 O-C-N 124.447 1.092 . . . . 0.0 110.258 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.4 84.49 0.29 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.426 1.079 . . . . 0.0 111.039 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 158.2 42.35 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.499 1.789 . . . . 0.0 110.968 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -115.48 29.67 7.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.145 . . . . 0.0 108.013 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 10.3 mp -79.16 -44.89 21.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.328 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.82 -41.67 0.75 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.48 1.113 . . . . 0.0 110.315 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -42.96 -43.46 4.17 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -43.57 -39.68 3.59 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.493 ' HB3' HG13 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -61.21 -55.28 33.9 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 108.328 179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.64 ' HB2' HG12 ' B' ' 61' ' ' VAL . 4.8 t -64.43 -46.52 82.84 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 108.279 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.49 ' O ' ' HB2' ' B' ' 20' ' ' GLN . 0.9 OUTLIER -38.5 -38.12 0.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.127 . . . . 0.0 109.288 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.432 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 45.4 mm-40 -64.26 -47.19 80.52 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.556 1.16 . . . . 0.0 110.383 179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.772 HD12 ' N ' ' B' ' 19' ' ' TYR . 1.5 pp -81.57 -47.41 13.1 Favored 'General case' 0 C--N 1.327 -0.408 0 O-C-N 124.475 1.109 . . . . 0.0 109.264 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.772 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.0 OUTLIER -53.94 -54.51 37.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.539 1.149 . . . . 0.0 111.017 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.49 ' HB2' ' O ' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -38.57 -37.86 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.421 ' OE2' ' CG ' ' B' ' 22' ' ' ASP . 0.0 OUTLIER -90.95 -150.04 0.23 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 0.0 110.326 179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.537 ' O ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -98.36 120.78 39.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.13 . . . . 0.0 109.269 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.539 ' HA ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -41.6 -20.63 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.595 1.184 . . . . 0.0 110.293 -179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.537 ' N ' ' O ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -40.92 -28.21 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.552 1.157 . . . . 0.0 109.312 179.969 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.66 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 37.5 m -113.91 66.01 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 108.219 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.825 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 2.2 t -104.01 -85.44 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.435 1.084 . . . . 0.0 109.332 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 0.864 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 38.9 t -66.17 -29.13 2.75 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.13 . . . . 0.0 108.294 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.864 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -9.89 20.91 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.475 1.776 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.645 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -83.67 -36.29 23.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.332 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.175 HD13 ' CG ' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -81.42 -47.15 13.59 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' B' ' 30' ' ' LEU . 5.8 mtmt -38.01 -57.55 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 0.0 109.268 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -54.27 -35.31 62.41 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.542 1.151 . . . . 0.0 110.308 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.857 ' HB1' ' C ' ' B' ' 72' ' ' PHE . . . -57.74 -59.08 5.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.937 ' HB3' ' CE1' ' B' ' 52' ' ' TYR . . . -41.02 -39.36 1.17 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.546 1.154 . . . . 0.0 109.356 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.428 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 10.2 tttp -41.25 -46.78 3.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.54 1.15 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.76 ' O ' HG22 ' B' ' 39' ' ' VAL . 48.8 m -78.76 -49.7 12.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 0.0 110.016 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.982 HG22 HD13 ' B' ' 73' ' ' ILE . 86.4 t -44.33 -79.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.559 1.162 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.701 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.8 OUTLIER -23.51 -81.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.76 HG22 ' O ' ' B' ' 36' ' ' SER . 1.8 m 2.09 99.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 109.239 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.605 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -19.0 -96.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.125 . . . . 0.0 110.362 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 55.82 -82.4 0.01 OUTLIER Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.397 1.061 . . . . 0.0 111.051 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.508 ' N ' ' O ' ' B' ' 40' ' ' GLN . 1.1 mp0 -109.94 -2.43 17.15 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 0.773 . . . . 0.0 110.33 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.694 ' CD2' ' CD1' ' B' ' 46' ' ' PHE . 7.6 t60 -139.63 64.29 1.46 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 109.589 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.556 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -23.86 -91.49 0.01 OUTLIER Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.497 1.123 . . . . 0.0 111.003 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 157.88 42.61 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.615 1.85 . . . . 0.0 110.943 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.882 ' CZ ' HD23 ' A' ' 26' ' ' LEU . 0.5 OUTLIER -174.57 -178.7 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 111.009 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.935 ' O ' HG22 ' B' ' 51' ' ' ILE . 23.7 mt-30 -126.52 56.9 1.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 110.236 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.578 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -38.92 -37.49 0.36 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.077 179.937 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -67.38 -49.98 61.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.436 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.439 ' N ' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -78.43 -62.3 1.73 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 110.29 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.935 HG22 ' O ' ' B' ' 47' ' ' GLN . 3.5 tp -37.84 -34.76 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.436 1.085 . . . . 0.0 109.263 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.937 ' CE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -53.73 -70.62 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.955 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.508 ' O ' ' C ' ' B' ' 54' ' ' ILE . 5.4 tm0? -59.11 -67.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 1.135 ' O ' ' O ' ' B' ' 55' ' ' ALA . 2.2 pp -32.27 -70.3 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.293 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 1.135 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 6.96 -153.81 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.368 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.894 ' O ' ' CE2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 163.29 121.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.244 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.808 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.3 OUTLIER -20.76 -46.9 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.44 1.088 . . . . 0.0 109.352 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 1.071 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 6.3 mt -158.78 -55.59 0.02 OUTLIER Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.105 . . . . 0.0 109.251 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 1.071 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.4 Cg_endo -74.98 162.15 93.42 Favored 'Cis proline' 0 C--N 1.36 1.178 0 C-N-CA 120.994 -2.503 . . . . 0.0 110.989 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.929 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 151.34 -59.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.831 HG23 ' HG ' ' B' ' 58' ' ' LEU . 78.4 t -4.82 -61.4 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.774 ' N ' ' O ' ' B' ' 60' ' ' ASN . 0.0 OUTLIER -129.93 -80.78 0.55 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 108.263 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.732 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 24.7 t30 131.36 44.66 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . . . . . . . . . 2.5 ptp -143.66 99.46 3.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 2.2 mtmm -76.76 -3.01 35.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -83.4 -14.54 52.46 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.267 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.584 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -96.29 -58.0 4.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.333 -179.962 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.584 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 148.25 162.23 10.04 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.545 1.153 . . . . 0.0 111.018 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.588 HG23 ' HA ' ' B' ' 56' ' ' LYS . 0.5 OUTLIER -158.82 155.15 27.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.565 0.803 . . . . 0.0 110.379 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.896 ' CB ' ' HB2' ' B' ' 30' ' ' LEU . 10.2 m -168.79 175.52 1.72 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 108.278 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.994 ' C ' ' HB3' ' B' ' 30' ' ' LEU . 18.2 Cg_endo -75.02 127.3 10.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.545 1.813 . . . . 0.0 111.019 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 1.175 ' CG ' HD13 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -97.3 -161.75 0.9 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.536 1.148 . . . . 0.0 111.027 179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.982 HD13 HG22 ' B' ' 37' ' ' VAL . 7.3 tp -165.75 169.82 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.464 1.103 . . . . 0.0 109.345 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.655 ' HB3' ' HG3' ' A' ' 19' ' ' GLN . . . -130.08 175.36 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.562 1.164 . . . . 0.0 109.361 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.56 1.162 . . . . 0.0 109.317 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 4.6 mp0 . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 110.263 -0.273 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.522 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.1 Cg_endo -75.06 128.82 11.74 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.48 1.779 . . . . 0.0 110.947 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -80.53 -39.4 27.89 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.351 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.426 ' O ' ' CG ' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.35 -40.43 94.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 109.241 -179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.7 m -55.63 -60.98 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.406 1.066 . . . . 0.0 108.246 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.522 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -52.47 -43.24 64.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.555 1.16 . . . . 0.0 110.325 179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' GLU . 7.1 ttp180 -64.01 -57.02 10.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.532 1.145 . . . . 0.0 110.308 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.463 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 2.3 mm-40 -38.3 -42.66 0.73 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.558 1.161 . . . . 0.0 110.347 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.842 ' CE1' ' CG ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER -44.71 -66.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 111.047 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.461 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.8 tt0 -76.34 -38.39 55.97 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 110.25 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.711 ' OE1' ' C ' ' B' ' 75' ' ' ILE . 0.0 OUTLIER -37.25 -42.93 0.49 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.515 1.135 . . . . 0.0 110.362 -179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' CG ' ' HB3' ' B' ' 74' ' ' ALA . 0.5 OUTLIER -84.0 -92.03 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 110.254 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.703 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 177.43 69.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 110.283 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.842 ' CG ' ' CE1' ' A' ' 9' ' ' PHE . 19.3 m170 1.13 107.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.626 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.852 ' O ' ' HB3' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -39.52 171.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 109.27 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.532 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 12.8 mtp85 -113.52 -53.75 2.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.247 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -40.58 -48.19 2.83 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.49 1.119 . . . . 0.0 109.271 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.696 ' SG ' ' CE2' ' B' ' 72' ' ' PHE . 84.6 m -82.15 -39.99 22.46 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.446 1.091 . . . . 0.0 108.29 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.852 ' HB3' ' O ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -47.17 -34.52 6.34 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.441 1.088 . . . . 0.0 110.299 -179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.656 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.6 OUTLIER -35.56 -74.18 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.125 . . . . 0.0 110.367 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.92 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -59.04 -63.96 1.11 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.458 1.099 . . . . 0.0 108.063 179.931 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.702 HD11 HD13 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -31.97 -47.87 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.421 ' O ' ' C ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -87.04 -70.64 0.6 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.292 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.656 ' N ' ' O ' ' A' ' 20' ' ' GLN . 0.1 OUTLIER -37.01 -34.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.115 . . . . 0.0 110.247 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.504 ' HG2' ' CD1' ' A' ' 21' ' ' TRP . 2.8 mm-40 -33.73 -40.59 0.08 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.539 1.149 . . . . 0.0 110.289 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.803 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.8 OUTLIER -72.48 -60.4 2.25 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.322 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -67.7 -154.4 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.472 1.108 . . . . 0.0 109.333 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 138.7 -55.64 0.66 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.42 1.075 . . . . 0.0 111.031 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -50.8 167.58 0.26 Allowed Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.487 0.757 . . . . 0.0 109.973 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 132.53 15.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.503 1.791 . . . . 0.0 111.06 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.499 1.124 . . . . 0.0 110.99 179.998 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.287 -0.264 . . . . 0.0 110.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m -73.98 109.2 7.29 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.497 1.123 . . . . 0.0 109.963 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 126.43 -84.14 0.34 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.528 1.142 . . . . 0.0 111.044 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 149.46 36.71 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.501 1.79 . . . . 0.0 111.046 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 4.0 pt20 -137.16 71.28 1.4 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.425 1.078 . . . . 0.0 110.322 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 4.3 tm0? -73.04 90.56 1.52 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.565 1.166 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 47.24 89.15 0.01 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.426 1.079 . . . . 0.0 111.007 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.486 ' O ' ' CD1' ' B' ' 9' ' ' TRP . 18.3 Cg_endo -74.98 138.83 23.61 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.475 1.776 . . . . 0.0 110.977 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.486 ' CD1' ' O ' ' B' ' 8' ' ' PRO . 28.2 m0 -142.3 45.72 1.63 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 108.019 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 3.7 mp -71.41 -39.98 70.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.113 . . . . 0.0 109.324 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.01 -65.15 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.148 . . . . 0.0 110.283 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.406 ' HA ' ' SG ' ' B' ' 15' ' ' CYS . 0.5 OUTLIER -45.18 -40.67 7.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 110.221 -179.947 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.426 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 1.4 tm0? -50.44 -44.93 55.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.115 . . . . 0.0 110.283 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.657 ' O ' ' CE2' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -51.53 -65.78 0.5 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 108.216 -179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.581 ' O ' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -54.19 -51.74 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 108.341 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.426 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 0.9 OUTLIER -40.18 -36.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.594 ' HG3' ' CD2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -72.24 -38.75 68.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 110.214 -179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.789 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -66.69 -49.69 65.27 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.532 1.145 . . . . 0.0 109.327 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -54.78 -37.41 65.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.091 . . . . 0.0 111.005 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -54.34 -37.96 65.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.337 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.24 -149.3 0.37 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.652 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -119.65 115.81 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.824 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.1 mp0 -54.63 -0.12 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 110.356 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.652 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -59.47 -37.09 68.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.417 1.073 . . . . 0.0 109.238 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 1.031 ' O ' HG23 ' B' ' 29' ' ' THR . 13.5 m -109.47 19.44 19.3 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 108.351 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.943 HG13 ' O ' ' B' ' 71' ' ' PRO . 2.8 t -88.44 -23.44 6.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.559 1.162 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 0.647 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -86.33 -45.47 0.57 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.416 1.073 . . . . 0.0 108.271 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.728 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.5 Cg_endo -74.9 -4.71 15.82 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.609 1.847 . . . . 0.0 111.024 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 1.031 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -72.3 -43.62 63.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.415 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.129 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.0 OUTLIER -68.21 -49.18 62.44 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.625 ' N ' HD12 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -37.34 -44.22 0.6 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.59 1.181 . . . . 0.0 109.312 179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.412 ' N ' ' HG2' ' B' ' 31' ' ' LYS . 2.7 mp0 -68.41 -41.23 80.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.301 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.83 ' HB2' ' HZ ' ' A' ' 9' ' ' PHE . . . -65.54 -45.66 82.57 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 109.316 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.481 ' HA ' ' HB ' ' B' ' 37' ' ' VAL . . . -64.99 -41.36 95.47 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 109.259 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -40.82 -60.19 1.23 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.429 1.08 . . . . 0.0 109.201 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 17.9 m -77.74 -52.75 8.45 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.556 1.16 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.764 ' C ' HD11 ' A' ' 26' ' ' LEU . 14.1 t -41.5 -76.13 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.453 1.096 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.702 ' O ' ' C ' ' B' ' 39' ' ' VAL . 4.2 ttp180 -10.9 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 110.344 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.702 ' C ' ' O ' ' B' ' 38' ' ' ARG . 1.8 t 3.33 100.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.471 1.107 . . . . 0.0 109.347 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.675 ' C ' ' O ' ' B' ' 39' ' ' VAL . 0.4 OUTLIER -8.88 -101.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.446 1.091 . . . . 0.0 110.357 179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.436 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 56.02 -82.38 0.01 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.544 1.153 . . . . 0.0 110.969 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.495 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.1 OUTLIER -123.37 -2.3 8.52 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.522 0.777 . . . . 0.0 110.269 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.564 ' CG ' HD22 ' A' ' 26' ' ' LEU . 15.9 t60 -119.46 54.95 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.658 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.763 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -77.62 -33.72 41.92 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.456 1.097 . . . . 0.0 110.967 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.763 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.07 149.31 36.23 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.446 1.761 . . . . 0.0 110.986 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -91.22 141.32 28.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.986 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.468 ' O ' ' HG3' ' B' ' 50' ' ' ARG . 10.8 pt20 177.26 -27.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.447 1.092 . . . . 0.0 110.279 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.835 ' O ' ' N ' ' B' ' 52' ' ' TYR . 38.4 m -82.7 -44.29 15.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.43 1.081 . . . . 0.0 109.919 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.433 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -36.18 -43.81 0.37 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.36 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.468 ' HG3' ' O ' ' B' ' 47' ' ' GLN . 0.0 OUTLIER -61.32 -64.27 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 110.286 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.694 HD11 ' O ' ' B' ' 55' ' ' ALA . 0.3 OUTLIER -71.63 -40.18 70.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.256 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.835 ' N ' ' O ' ' B' ' 48' ' ' SER . 11.3 t80 -37.52 -36.89 0.18 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 111.033 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 28.8 mt-30 -45.44 -56.44 5.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 110.285 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.895 HG13 ' H ' ' B' ' 55' ' ' ALA . 1.7 pp -80.96 -80.71 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.473 1.108 . . . . 0.0 109.319 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.895 ' H ' HG13 ' B' ' 54' ' ' ILE . . . 175.63 -158.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.42 1.075 . . . . 0.0 109.271 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.92 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -171.01 100.44 0.21 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.309 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.822 ' O ' HD23 ' B' ' 58' ' ' LEU . 0.6 OUTLIER -35.62 -54.88 0.7 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.505 1.128 . . . . 0.0 109.327 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 1.052 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 4.2 mt -169.34 -53.92 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 109.272 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 1.052 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -75.02 163.91 89.61 Favored 'Cis proline' 0 C--N 1.361 1.188 0 C-N-CA 120.944 -2.523 . . . . 0.0 111.018 0.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.807 ' CB ' HD12 ' B' ' 58' ' ' LEU . 5.2 m-20 152.16 -56.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.381 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.816 HG12 ' N ' ' B' ' 62' ' ' CYS . 3.1 t 2.44 -90.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.816 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.9 OUTLIER -152.89 18.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 108.251 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.425 ' C ' ' O ' ' B' ' 62' ' ' CYS . 1.7 p30 38.34 33.1 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.447 1.092 . . . . 0.0 109.243 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.685 ' O ' ' HG3' ' B' ' 64' ' ' MET . 20.8 ptp -71.3 77.92 0.73 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 111.055 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 5.9 mtmm -63.17 -3.16 1.64 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.423 1.077 . . . . 0.0 109.294 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.481 ' H ' ' C ' ' B' ' 64' ' ' MET . 3.3 mt-30 -78.59 -37.28 42.88 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.66 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -100.33 -63.42 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.303 -179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.66 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 146.1 164.33 10.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.479 1.112 . . . . 0.0 110.995 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.951 ' O ' ' SG ' ' B' ' 70' ' ' CYS . 0.5 OUTLIER -85.44 119.71 26.11 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.512 0.772 . . . . 0.0 110.407 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.951 ' SG ' ' O ' ' B' ' 69' ' ' THR . 74.9 m -175.64 140.7 0.6 Allowed Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.451 1.094 . . . . 0.0 108.37 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.943 ' O ' HG13 ' B' ' 26' ' ' VAL . 18.1 Cg_endo -75.05 166.93 28.1 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.502 1.791 . . . . 0.0 110.98 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.788 ' CD1' ' CB ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -125.01 -176.73 3.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 111.025 -179.999 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.625 ' HA ' HD11 ' A' ' 15' ' ' LEU . 10.5 pt -147.73 174.84 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.601 1.188 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.441 ' HB3' ' CG ' ' A' ' 12' ' ' GLU . . . -104.67 -165.52 1.15 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.451 1.095 . . . . 0.0 109.227 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.711 ' C ' ' OE1' ' A' ' 11' ' ' GLN . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.269 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.413 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 1.9 mp0 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.442 ' CG ' ' HA ' ' B' ' 24' ' ' VAL . 18.2 Cg_endo -75.05 129.4 12.26 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.451 ' HA ' ' HG3' ' A' ' 6' ' ' GLN . 0.0 OUTLIER -77.22 -39.8 47.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 110.326 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.534 ' O ' ' N ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -43.54 -46.31 6.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 109.259 -179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.506 ' SG ' ' HB ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -58.55 -72.48 0.09 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 108.281 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.451 ' HG3' ' HA ' ' A' ' 3' ' ' GLN . 0.0 OUTLIER -41.8 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.289 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 5.2 mmm180 -66.75 -38.91 87.55 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.534 ' N ' ' O ' ' A' ' 4' ' ' LYS . 2.8 mm-40 -58.39 -72.17 0.1 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.534 1.146 . . . . 0.0 110.299 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.79 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -41.87 -38.28 1.49 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.59 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -67.06 -41.01 87.17 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.466 1.104 . . . . 0.0 110.329 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.461 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -75.13 -37.1 61.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.465 1.103 . . . . 0.0 110.238 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.723 ' OE1' HG23 ' B' ' 75' ' ' ILE . 49.9 mm-40 -59.64 -88.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 110.278 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.713 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.1 OUTLIER 175.71 64.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 110.287 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.713 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.1 OUTLIER -1.59 114.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.635 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.95 HD12 ' CE1' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -32.07 153.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.529 1.143 . . . . 0.0 109.242 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.741 ' HA ' ' HB2' ' A' ' 19' ' ' GLN . 50.3 mtp180 -91.88 -64.46 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.445 1.091 . . . . 0.0 110.297 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.697 ' HB3' ' SG ' ' B' ' 14' ' ' CYS . . . -37.96 -46.35 0.97 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 109.308 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.608 ' O ' ' CG2' ' A' ' 22' ' ' ILE . 78.1 m -78.69 -45.48 21.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 108.337 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 1.071 ' HA ' HD12 ' A' ' 22' ' ' ILE . 1.0 OUTLIER -33.33 -34.75 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.473 1.108 . . . . 0.0 110.249 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.517 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.7 OUTLIER -41.94 -64.94 0.51 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 110.248 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.3 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.8 OUTLIER -75.05 -70.61 0.4 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.097 . . . . 0.0 108.059 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.071 HD12 ' HA ' ' A' ' 19' ' ' GLN . 0.0 OUTLIER -21.82 -44.27 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 109.234 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 1.023 ' N ' HD13 ' A' ' 22' ' ' ILE . 7.6 ttt180 -87.39 -57.58 2.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.407 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.487 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 1.1 tt0 -51.62 -38.23 53.71 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.2 OUTLIER -37.23 -44.8 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.141 . . . . 0.0 110.327 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 1.023 HD11 ' O ' ' B' ' 34' ' ' ALA . 1.0 OUTLIER -69.68 -50.02 47.9 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.502 1.126 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.411 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -46.3 147.94 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.591 1.182 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.86 49.13 0.01 OUTLIER Glycine 0 CA--C 1.531 1.077 0 O-C-N 124.546 1.154 . . . . 0.0 110.967 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 21.0 m -125.98 156.14 72.13 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.55 0.794 . . . . 0.0 109.968 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 134.38 17.73 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.467 1.772 . . . . 0.0 111.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.468 1.105 . . . . 0.0 110.978 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.5 mm-40 . . . . . 0 N--CA 1.454 -0.26 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -121.7 75.08 1.17 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.497 1.123 . . . . 0.0 109.992 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -100.79 169.56 21.24 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.528 1.142 . . . . 0.0 111.022 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 137.98 22.56 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.568 1.825 . . . . 0.0 111.035 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.92 132.42 47.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.309 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -86.7 109.39 19.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.449 1.093 . . . . 0.0 110.25 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.62 -72.25 0.2 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.47 1.106 . . . . 0.0 110.996 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.02 157.43 42.68 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.57 1.826 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m-90 -126.37 86.82 2.57 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.165 . . . . 0.0 107.973 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.432 HD12 ' N ' ' B' ' 10' ' ' LEU . 7.1 mp -75.47 -42.33 53.35 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 109.313 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.477 ' O ' ' HB2' ' B' ' 14' ' ' CYS . 2.4 ptt-85 -39.87 -43.35 1.47 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.125 . . . . 0.0 110.286 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.504 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 15.5 tt0 -40.76 -40.46 1.33 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 110.368 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.605 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 0.0 OUTLIER -44.48 -39.95 5.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.278 179.95 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.697 ' SG ' ' HB3' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -49.71 -68.53 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.298 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 18' ' ' LEU . 19.2 t -56.62 -47.73 79.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 108.293 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.605 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 0.8 OUTLIER -38.71 -35.02 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 109.248 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.795 ' HG2' ' CE1' ' B' ' 72' ' ' PHE . 0.1 OUTLIER -67.92 -35.15 77.96 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.119 . . . . 0.0 110.28 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.876 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -71.96 -47.23 53.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.322 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -39.69 -38.28 0.61 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.947 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -62.14 -36.98 83.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.247 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.571 ' N ' ' O ' ' B' ' 18' ' ' LEU . 3.6 tp10 -88.49 -150.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.555 ' O ' HG23 ' B' ' 26' ' ' VAL . 1.2 t70 -141.95 -156.4 0.68 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.596 1.185 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.586 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -73.77 -1.56 19.79 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.455 1.097 . . . . 0.0 110.312 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.625 HG23 ' SG ' ' B' ' 25' ' ' CYS . 6.5 m -49.31 -44.88 18.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.262 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.755 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -137.57 47.88 2.05 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.522 1.139 . . . . 0.0 108.297 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.86 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -79.96 -76.38 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.569 1.168 . . . . 0.0 109.276 -179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.031 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -103.54 -9.07 0.12 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 108.341 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 1.031 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -3.64 14.22 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.555 1.819 . . . . 0.0 110.987 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.473 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -83.29 -82.07 0.15 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 110.447 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.808 HD22 ' N ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -35.0 -44.68 0.24 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.26 179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.808 ' N ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -41.84 -55.66 2.98 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.483 1.114 . . . . 0.0 109.245 -179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.514 ' N ' ' CG ' ' B' ' 31' ' ' LYS . 0.0 OUTLIER -83.54 -37.15 23.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 110.297 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.79 ' HB2' ' CZ ' ' A' ' 9' ' ' PHE . . . -57.23 -82.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.283 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 1.023 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -32.36 -42.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.443 1.089 . . . . 0.0 109.286 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' B' ' 33' ' ' ALA . 2.6 tptt -40.99 -82.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.441 1.088 . . . . 0.0 109.328 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' C ' ' B' ' 37' ' ' VAL . 16.1 m -84.73 -27.53 26.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.988 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.846 HG12 ' N ' ' B' ' 38' ' ' ARG . 0.9 OUTLIER -20.01 -76.65 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.551 1.157 . . . . 0.0 109.335 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.846 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -82.8 -64.21 1.22 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.434 1.084 . . . . 0.0 110.284 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.477 ' H ' HD12 ' A' ' 26' ' ' LEU . 14.5 t -91.19 80.56 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.678 ' C ' ' H ' ' B' ' 42' ' ' GLN . 1.3 pt20 -85.44 -170.11 2.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.523 ' C ' ' CG ' ' B' ' 42' ' ' GLN . . . 63.78 -31.27 0.09 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.464 1.103 . . . . 0.0 110.967 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.678 ' H ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER 179.37 106.62 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 0.785 . . . . 0.0 110.31 179.975 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.616 ' O ' ' CE1' ' B' ' 46' ' ' PHE . 8.5 t-80 -71.65 41.66 0.08 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.463 1.102 . . . . 0.0 109.554 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.606 ' O ' ' CZ ' ' B' ' 46' ' ' PHE . . . -27.85 -77.62 0.01 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.162 . . . . 0.0 111.022 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 129.59 12.42 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.519 1.799 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.616 ' CE1' ' O ' ' B' ' 43' ' ' HIS . 1.6 m-85 -114.5 163.48 15.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.502 1.126 . . . . 0.0 110.977 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -166.85 -36.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.778 ' O ' ' N ' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -68.5 -37.01 79.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.429 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -36.17 -38.99 0.16 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.558 1.161 . . . . 0.0 110.415 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 1.5 tpp85 -67.69 -54.76 16.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 110.329 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.448 ' CG2' ' HA ' ' B' ' 48' ' ' SER . 1.1 tp -76.06 -33.51 24.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.439 1.087 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.778 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.3 OUTLIER -34.65 -36.03 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 0.0 110.981 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.434 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.3 tt0 -38.16 -57.35 1.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 0.0 110.26 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 1.084 ' CG1' ' H ' ' B' ' 55' ' ' ALA . 0.8 OUTLIER -88.77 -86.68 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.521 1.138 . . . . 0.0 109.276 -179.951 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 1.084 ' H ' ' CG1' ' B' ' 54' ' ' ILE . . . 165.75 -152.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 1.3 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 173.13 85.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.241 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.991 ' HB2' HG22 ' B' ' 69' ' ' THR . 0.0 OUTLIER -50.41 -56.2 12.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.433 1.083 . . . . 0.0 109.27 179.959 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 1.014 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 9.4 mt -160.35 -55.33 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.441 1.088 . . . . 0.0 109.335 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 1.014 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.98 163.4 90.8 Favored 'Cis proline' 0 C--N 1.36 1.18 0 C-N-CA 120.987 -2.505 . . . . 0.0 110.978 -0.048 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.834 ' CB ' HD12 ' B' ' 58' ' ' LEU . 7.5 m-20 146.64 -61.0 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.504 1.127 . . . . 0.0 109.281 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.914 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -17.17 -66.8 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.765 ' O ' ' CB ' ' B' ' 63' ' ' ASN . 73.9 m -103.95 -92.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 108.299 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.765 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 44.1 t30 113.92 21.97 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.345 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.526 ' HE2' ' HB3' ' B' ' 62' ' ' CYS . 0.9 OUTLIER -133.96 112.38 11.19 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.989 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.87 -5.64 1.43 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.549 1.156 . . . . 0.0 109.284 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.464 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -80.07 -26.52 39.62 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.573 1.17 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.609 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -98.41 -60.19 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 0.0 109.253 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.609 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 135.09 161.33 9.35 Favored Glycine 0 CA--C 1.529 0.918 0 O-C-N 124.506 1.129 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.991 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -97.06 101.2 12.72 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.432 0.725 . . . . 0.0 110.399 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.683 ' O ' ' ND2' ' B' ' 57' ' ' ASN . 0.0 OUTLIER -179.42 158.0 0.88 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.47 1.106 . . . . 0.0 108.26 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.765 ' HD2' HD12 ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.06 165.01 32.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.444 1.76 . . . . 0.0 111.04 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.95 ' CE1' HD12 ' A' ' 15' ' ' LEU . 17.8 p90 -100.1 -170.92 1.95 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.669 ' O ' ' HD1' ' B' ' 72' ' ' PHE . 0.2 OUTLIER -97.89 152.67 4.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.986 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.18 175.48 8.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.723 HG23 ' OE1' ' A' ' 12' ' ' GLU . 5.6 tp . . . . . 0 C--N 1.327 -0.402 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 110.347 -0.242 . . . . 0.0 110.347 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 129.19 12.07 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.531 1.806 . . . . 0.0 110.998 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -74.28 -39.64 62.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.32 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -42.8 -39.57 2.54 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.248 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.428 ' SG ' HG23 ' B' ' 24' ' ' VAL . 1.3 m -60.08 -74.14 0.08 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.464 1.103 . . . . 0.0 108.286 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.451 HE21 ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -37.83 -39.73 0.38 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 1.143 . . . . 0.0 110.239 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.456 ' O ' ' N ' ' A' ' 11' ' ' GLN . 0.9 OUTLIER -71.26 -69.79 0.35 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 -179.912 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HB3' ' OE1' ' B' ' 21' ' ' GLU . 7.0 mm-40 -38.14 -48.82 1.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.223 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.633 ' CE2' ' HB2' ' B' ' 33' ' ' ALA . 24.2 t80 -40.36 -66.6 0.3 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.608 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -78.86 -49.84 12.25 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.432 1.083 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -38.59 -37.0 0.29 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.553 1.158 . . . . 0.0 110.266 179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.418 ' O ' ' CG ' ' A' ' 13' ' ' GLN . 8.7 mm-40 -76.53 -92.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 110.308 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.76 ' O ' ' O ' ' A' ' 14' ' ' HIS . 0.4 OUTLIER 174.66 70.87 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.298 179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.76 ' O ' ' O ' ' A' ' 13' ' ' GLN . 26.7 m170 -7.65 130.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.382 1.051 . . . . 0.0 109.566 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.887 HD23 ' CE2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -39.72 166.42 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.599 1.187 . . . . 0.0 109.317 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 1.041 ' O ' ' N ' ' A' ' 19' ' ' GLN . 7.7 mtm180 -123.38 -72.05 0.7 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.139 . . . . 0.0 110.288 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.544 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -29.3 -42.68 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.564 1.165 . . . . 0.0 109.299 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.675 ' HB2' ' CZ ' ' B' ' 72' ' ' PHE . 83.2 m -69.65 -25.84 64.11 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 108.246 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 1.041 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.1 pt20 -31.48 -33.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.095 . . . . 0.0 110.279 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.6 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -55.13 -73.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.394 1.059 . . . . 0.0 110.359 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.863 ' HZ2' ' HA ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -55.1 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.939 -1.134 . . . . 0.0 107.939 -179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.852 HG21 ' CZ ' ' B' ' 72' ' ' PHE . 2.6 pp -29.07 -43.44 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.664 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.1 OUTLIER -81.62 -48.36 11.84 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.468 1.105 . . . . 0.0 110.297 179.942 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' A' ' 20' ' ' GLN . 23.7 tp60 -46.06 -36.77 6.02 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.478 1.111 . . . . 0.0 110.267 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -36.06 -38.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.273 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.634 HD22 ' CG ' ' B' ' 43' ' ' HIS . 10.8 mt -45.52 -51.49 11.68 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -59.0 176.0 0.24 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.573 1.17 . . . . 0.0 109.271 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.411 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -169.03 -83.77 0.05 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.475 1.11 . . . . 0.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 28' ' ' GLY . 18.1 p -38.61 99.19 0.19 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 0.762 . . . . 0.0 110.016 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 28' ' ' GLY . 18.4 Cg_endo -74.96 140.52 25.67 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.427 1.751 . . . . 0.0 110.983 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 42.7 m-85 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.974 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 pm0 . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -171.6 132.9 0.76 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 0.0 109.963 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -109.68 162.06 12.82 Favored Glycine 0 CA--C 1.532 1.105 0 O-C-N 124.467 1.105 . . . . 0.0 110.935 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 136.56 20.56 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.539 1.81 . . . . 0.0 111.029 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . 0.448 ' O ' ' CG ' ' B' ' 6' ' ' GLN . 6.6 tt0 -161.68 110.6 1.52 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.589 1.181 . . . . 0.0 110.269 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . 0.448 ' CG ' ' O ' ' B' ' 5' ' ' GLN . 0.6 OUTLIER -178.76 124.24 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.297 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 72.43 -173.17 46.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.484 1.115 . . . . 0.0 111.022 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 149.07 36.16 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.538 1.81 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 9.2 m-90 -78.91 116.16 19.06 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.519 1.137 . . . . 0.0 108.033 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' B' ' 13' ' ' GLN . 1.6 mp -70.63 -39.45 73.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -40.97 -46.78 2.9 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.517 1.136 . . . . 0.0 110.346 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.467 ' CG ' ' ND2' ' B' ' 16' ' ' ASN . 16.7 tt0 -56.24 -41.76 76.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.568 1.168 . . . . 0.0 110.304 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.512 ' HA ' ' HB2' ' B' ' 16' ' ' ASN . 37.2 tt0 -48.65 -38.2 20.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.283 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.462 ' SG ' ' HB3' ' A' ' 15' ' ' LEU . 2.7 t -53.08 -65.99 0.46 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 108.331 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.593 ' O ' ' N ' ' B' ' 18' ' ' LEU . 2.5 t -56.53 -47.83 78.56 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.561 1.163 . . . . 0.0 108.29 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.512 ' HB2' ' HA ' ' B' ' 13' ' ' GLN . 0.9 OUTLIER -39.29 -35.76 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.661 ' CG ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -69.2 -42.1 76.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.766 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -82.67 -51.84 7.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.623 ' CE1' ' CE ' ' B' ' 64' ' ' MET . 0.2 OUTLIER -40.02 -41.65 1.26 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.092 . . . . 0.0 110.999 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.43 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.9 OUTLIER -39.28 -37.65 0.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.428 1.08 . . . . 0.0 110.303 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.43 ' O ' ' O ' ' B' ' 20' ' ' GLN . 5.4 tp10 -60.12 -132.43 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.433 1.083 . . . . 0.0 110.272 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.811 ' HB3' HG22 ' B' ' 24' ' ' VAL . 22.8 t0 -134.25 150.6 51.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.086 . . . . 0.0 109.294 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.798 ' O ' HG23 ' B' ' 26' ' ' VAL . 3.6 mp0 -44.0 -24.14 0.13 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 110.351 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.811 HG22 ' HB3' ' B' ' 22' ' ' ASP . 15.4 m -46.32 -38.15 3.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.442 1.089 . . . . 0.0 109.276 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.951 ' HB3' HG23 ' B' ' 29' ' ' THR . 1.8 m -104.3 59.67 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 108.337 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.878 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.1 t -82.67 -87.39 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 0.986 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.6 OUTLIER -90.95 -16.79 0.22 Allowed Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 108.324 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.986 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.2 Cg_endo -75.05 -8.03 19.65 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.48 1.779 . . . . 0.0 110.942 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.951 HG23 ' HB3' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -75.92 -60.59 2.26 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.511 1.132 . . . . 0.0 110.398 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.978 ' H ' HD22 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -64.49 -63.44 1.13 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' B' ' 30' ' ' LEU . 0.6 OUTLIER -38.34 -35.84 0.2 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 109.377 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.451 ' NE2' HE21 ' A' ' 6' ' ' GLN . 0.0 OUTLIER -56.69 -43.65 80.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.567 1.167 . . . . 0.0 110.274 -179.978 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.746 ' HB3' ' HA ' ' B' ' 72' ' ' PHE . . . -73.95 -50.17 21.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.569 ' HB3' ' HE1' ' B' ' 52' ' ' TYR . . . -39.19 -43.73 1.12 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.568 ' O ' ' CG2' ' B' ' 39' ' ' VAL . 8.2 tttp -50.3 -41.8 51.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.45 1.094 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.569 ' N ' ' O ' ' B' ' 33' ' ' ALA . 0.4 OUTLIER -82.56 -43.26 17.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.155 . . . . 0.0 109.977 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 1.062 HG22 HD12 ' B' ' 73' ' ' ILE . 98.4 t -39.41 -75.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.429 1.081 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.634 ' O ' ' C ' ' B' ' 39' ' ' VAL . 1.7 ttt180 -36.04 -86.38 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 110.336 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.693 ' O ' ' C ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -19.6 103.77 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 0.0 109.366 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 3.1 pt20 -0.4 -112.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.456 1.097 . . . . 0.0 110.324 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.417 ' H ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.4 -95.7 0.01 OUTLIER Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.457 1.098 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -97.57 -0.95 44.92 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.546 0.792 . . . . 0.0 110.229 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.634 ' CG ' HD22 ' A' ' 26' ' ' LEU . 3.3 t-160 -137.88 67.44 1.42 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.595 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.571 ' C ' ' O ' ' B' ' 43' ' ' HIS . . . -20.91 -65.84 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.52 1.138 . . . . 0.0 110.975 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.505 ' O ' ' O ' ' B' ' 43' ' ' HIS . 18.1 Cg_endo -74.93 155.16 43.24 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -102.94 138.92 39.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.137 . . . . 0.0 111.005 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 1.026 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.9 OUTLIER -171.74 41.06 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.308 179.932 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.577 ' HA ' ' CG2' ' B' ' 51' ' ' ILE . 0.6 OUTLIER -66.8 -56.86 8.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.153 . . . . 0.0 109.947 179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -43.37 -37.54 2.34 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.413 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.2 OUTLIER -74.78 -72.97 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.463 1.102 . . . . 0.0 110.26 -179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 1.026 HG22 ' O ' ' B' ' 47' ' ' GLN . 2.4 tp -38.6 -45.49 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.125 . . . . 0.0 109.327 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.569 ' HE1' ' HB3' ' B' ' 34' ' ' ALA . 0.2 OUTLIER -38.65 -55.21 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.452 1.095 . . . . 0.0 111.031 179.94 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' B' ' 54' ' ' ILE . 36.3 mt-30 -82.04 -42.3 19.46 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.243 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.574 ' HB ' ' HA ' ' B' ' 51' ' ' ILE . 1.1 mm -40.27 -82.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.566 1.166 . . . . 0.0 109.349 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.751 ' CB ' ' HE1' ' A' ' 21' ' ' TRP . . . -88.21 -175.3 4.99 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.431 1.082 . . . . 0.0 109.244 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.754 ' HA ' ' C ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 170.97 -11.44 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.512 1.132 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.788 HD21 ' N ' ' B' ' 63' ' ' ASN . 45.4 t30 -149.96 -38.96 0.14 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.939 ' N ' ' HA ' ' B' ' 59' ' ' PRO . 4.4 mt 161.89 -47.56 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.307 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.939 ' HA ' ' N ' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.94 142.72 75.61 Favored 'Cis proline' 0 C--N 1.36 1.14 0 C-N-CA 121.019 -2.492 . . . . 0.0 110.989 -0.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.848 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 4.7 m-20 160.52 -62.42 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 109.323 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.775 HG23 ' O ' ' B' ' 57' ' ' ASN . 2.4 t 0.8 -80.15 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.694 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -100.86 -57.69 2.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 108.291 -179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.788 ' N ' HD21 ' B' ' 57' ' ' ASN . 9.3 t-20 90.63 20.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.507 1.129 . . . . 0.0 109.316 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.623 ' CE ' ' CE1' ' B' ' 19' ' ' TYR . 21.6 mtm -117.44 92.16 3.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.444 1.09 . . . . 0.0 110.971 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 4.2 mtmm -68.51 1.22 3.25 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.538 1.149 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.449 ' H ' ' C ' ' B' ' 64' ' ' MET . 1.8 pm0 -74.64 -52.57 11.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.089 . . . . 0.0 110.296 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.569 ' CD1' ' HE3' ' B' ' 64' ' ' MET . 0.0 OUTLIER -72.09 -83.8 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.546 1.154 . . . . 0.0 109.284 -179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.452 ' HA3' ' CG1' ' B' ' 26' ' ' VAL . . . 177.22 145.22 5.67 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.473 1.108 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.687 ' HB ' ' O ' ' B' ' 56' ' ' LYS . 1.0 OUTLIER -128.64 144.01 51.07 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 0.789 . . . . 0.0 110.332 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.799 ' O ' ' HG ' ' B' ' 30' ' ' LEU . 38.0 m -161.81 162.52 20.6 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.562 1.164 . . . . 0.0 108.365 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.863 ' HA ' ' HZ2' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.94 142.75 28.43 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.437 1.756 . . . . 0.0 111.035 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.887 ' CE2' HD23 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -139.97 168.12 20.55 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.462 1.101 . . . . 0.0 111.004 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 1.062 HD12 HG22 ' B' ' 37' ' ' VAL . 1.6 tt -121.86 164.81 18.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 0.0 109.279 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.512 ' HA ' ' HB3' ' A' ' 14' ' ' HIS . . . -121.23 -73.76 0.64 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.459 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 8.9 mt-30 . . . . . 0 N--CA 1.452 -0.346 0 N-CA-C 110.31 -0.256 . . . . 0.0 110.31 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.459 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.2 Cg_endo -75.07 129.25 12.11 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.436 1.756 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.11 -40.6 30.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.426 1.078 . . . . 0.0 110.305 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.442 ' HB3' ' OE2' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -56.52 -41.32 76.54 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -60.94 -45.6 94.07 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.547 1.154 . . . . 0.0 108.361 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.467 ' OE1' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -63.03 -48.91 76.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.369 179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -62.94 -53.52 52.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.54 1.15 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.548 ' O ' ' HG2' ' A' ' 11' ' ' GLN . 17.7 mt-10 -39.52 -47.07 1.83 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.697 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -54.29 -65.23 0.61 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 111.068 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.443 ' HA ' ' NE2' ' A' ' 14' ' ' HIS . 0.5 OUTLIER -61.39 -39.31 90.2 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.334 179.94 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.548 ' HG2' ' O ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -38.13 -42.29 0.66 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' B' ' 75' ' ' ILE . 5.4 mm-40 -88.59 -93.92 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.7 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.7 OUTLIER 176.41 64.33 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.7 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 3.8 80.55 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.573 1.171 . . . . 0.0 109.601 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.832 ' N ' HD22 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -33.79 155.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.739 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.7 mtt180 -80.59 -52.89 7.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 110.329 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.543 ' HB1' ' HA ' ' B' ' 11' ' ' ARG . . . -38.79 -28.3 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.47 1.107 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.888 ' HB3' ' CZ ' ' B' ' 72' ' ' PHE . 4.0 m -76.1 -39.96 54.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.579 1.175 . . . . 0.0 108.283 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.739 ' N ' ' O ' ' A' ' 16' ' ' ARG . 2.6 mt-30 -43.65 -43.3 5.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 110.32 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.593 ' O ' ' CB ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -62.0 -32.78 73.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.24 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.969 ' CD1' HG21 ' B' ' 61' ' ' VAL . 1.6 t90 -36.1 -77.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 107.972 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 1.115 ' CG2' HG11 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -78.14 -52.33 16.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.639 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 66.6 ttt-85 -38.05 -51.11 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.593 ' CB ' ' O ' ' A' ' 20' ' ' GLN . 8.8 tm0? -53.15 -43.43 67.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.147 . . . . 0.0 110.218 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -75.73 -52.87 9.51 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 0.0 110.335 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.66 ' HG ' HD12 ' A' ' 22' ' ' ILE . 6.1 mt -39.67 -47.06 1.95 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.112 . . . . 0.0 109.32 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -70.3 123.56 22.0 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.421 1.076 . . . . 0.0 109.302 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -158.88 83.63 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 69.2 m -97.17 149.65 35.94 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.529 0.782 . . . . 0.0 110.097 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 130.72 13.55 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.477 1.777 . . . . 0.0 110.953 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 2.6 t80 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.083 . . . . 0.0 111.035 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 1.3 p -60.87 118.74 7.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 110.001 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 40.18 -157.03 0.03 OUTLIER Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.492 1.12 . . . . 0.0 110.961 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 148.65 35.55 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.531 1.806 . . . . 0.0 111.015 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 5.8 pt20 -51.82 128.3 23.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.446 1.091 . . . . 0.0 110.346 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 8.7 pt20 -178.22 175.21 1.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.507 1.129 . . . . 0.0 110.259 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.37 86.6 0.42 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.48 1.113 . . . . 0.0 111.011 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.479 ' HB2' HD13 ' B' ' 10' ' ' LEU . 18.4 Cg_endo -74.99 150.38 38.09 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.574 1.828 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.3 m95 -82.12 61.03 5.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.537 1.148 . . . . 0.0 107.964 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.479 HD13 ' HB2' ' B' ' 8' ' ' PRO . 0.3 OUTLIER -78.23 -45.2 23.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.526 1.141 . . . . 0.0 109.29 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.543 ' HA ' ' HB1' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -47.78 -42.11 25.04 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.439 1.087 . . . . 0.0 110.292 -179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.417 ' O ' ' N ' ' B' ' 16' ' ' ASN . 17.7 mt-10 -48.23 -39.8 22.42 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.288 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.448 ' O ' ' N ' ' B' ' 17' ' ' GLU . 84.7 mt-30 -49.32 -58.82 4.4 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.269 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.663 ' O ' HD23 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -52.61 -45.38 66.56 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.463 1.102 . . . . 0.0 108.329 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.618 ' HA ' HD21 ' B' ' 18' ' ' LEU . 2.1 t -59.92 -40.47 88.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 108.31 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.417 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -70.07 -38.43 75.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.52 1.138 . . . . 0.0 109.308 179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.528 ' HB3' HG21 ' B' ' 73' ' ' ILE . 11.0 mm-40 -62.4 -52.74 62.36 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.328 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.847 HD22 ' N ' ' B' ' 72' ' ' PHE . 0.6 OUTLIER -63.1 -42.52 99.6 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.486 ' HB2' ' O ' ' B' ' 15' ' ' CYS . 0.4 OUTLIER -52.25 -42.28 63.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 111.003 -179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -77.3 -30.74 54.31 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 110.359 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.635 ' OE2' ' N ' ' B' ' 75' ' ' ILE . 0.6 OUTLIER -80.82 -150.47 0.07 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.493 1.12 . . . . 0.0 110.262 -179.965 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.488 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -123.55 121.27 35.2 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.53 1.144 . . . . 0.0 109.265 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.6 ' HA ' HG23 ' B' ' 26' ' ' VAL . 1.2 pp0? -48.52 -13.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 1.14 . . . . 0.0 110.347 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.5 ' CG1' ' SG ' ' B' ' 25' ' ' CYS . 0.5 OUTLIER -34.48 -41.67 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 O-C-N 124.487 1.117 . . . . 0.0 109.375 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.925 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 24.1 m -120.77 55.47 1.03 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 108.301 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.797 ' N ' ' HD2' ' B' ' 28' ' ' PRO . 1.2 t -97.11 -67.78 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.232 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 0.944 ' HA ' HD21 ' B' ' 30' ' ' LEU . 0.1 OUTLIER -76.27 -32.5 1.1 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 108.298 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -74.99 -2.89 13.13 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.456 1.766 . . . . 0.0 110.962 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.784 ' OG1' ' O ' ' B' ' 25' ' ' CYS . 0.1 OUTLIER -86.17 -68.92 0.7 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.486 1.116 . . . . 0.0 110.409 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.944 HD21 ' HA ' ' B' ' 27' ' ' CYS . 0.0 OUTLIER -29.75 -52.39 0.13 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.417 1.073 . . . . 0.0 109.311 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.615 ' O ' ' CZ ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.33 -44.04 0.58 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.416 1.072 . . . . 0.0 109.314 179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.65 ' N ' ' O ' ' B' ' 29' ' ' THR . 0.0 OUTLIER -78.29 -62.93 1.52 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.256 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.899 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -47.4 -48.03 26.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.445 1.091 . . . . 0.0 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.801 ' HA ' HG21 ' A' ' 22' ' ' ILE . . . -44.2 -53.14 6.82 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.512 1.132 . . . . 0.0 109.283 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.907 ' O ' HG22 ' B' ' 39' ' ' VAL . 4.7 tptt -59.06 -67.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.427 1.08 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.473 ' O ' ' O ' ' B' ' 37' ' ' VAL . 31.1 t -54.16 -37.36 64.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 1.147 . . . . 0.0 110.032 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 1.115 HG11 ' CG2' ' A' ' 22' ' ' ILE . 2.5 t -35.83 -92.95 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 109.292 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.88 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -103.83 -78.13 0.56 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.496 1.122 . . . . 0.0 110.267 -179.962 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.907 HG22 ' O ' ' B' ' 35' ' ' LYS . 0.7 OUTLIER 7.49 116.27 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 -179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.485 ' HG2' ' O ' ' B' ' 38' ' ' ARG . 0.0 OUTLIER -179.07 -115.46 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.252 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.513 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . -67.96 -84.49 0.11 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.131 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -52.43 -9.18 0.1 Allowed 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.471 0.748 . . . . 0.0 110.323 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.546 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 21.4 t60 -133.73 57.6 1.8 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.61 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.822 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -78.62 -28.05 55.88 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.538 1.149 . . . . 0.0 111.024 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.822 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.1 Cg_endo -74.95 128.44 11.52 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.572 1.827 . . . . 0.0 110.955 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.693 ' CE2' ' CE ' ' B' ' 35' ' ' LYS . 3.0 m-85 -97.67 142.53 29.36 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.571 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -166.0 6.46 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.721 ' O ' ' N ' ' B' ' 52' ' ' TYR . 68.7 m -82.45 -37.47 25.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.439 1.087 . . . . 0.0 110.018 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.562 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 0.2 OUTLIER -38.51 -40.96 0.62 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.523 1.14 . . . . 0.0 110.405 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.92 -68.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.767 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.6 OUTLIER -52.96 -34.41 20.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.467 1.104 . . . . 0.0 109.337 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.721 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.1 OUTLIER -32.35 -80.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 111.005 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -39.15 -35.6 0.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 1.215 ' O ' ' O ' ' B' ' 55' ' ' ALA . 3.0 mt -80.77 -38.81 17.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 1.215 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 10.43 -164.99 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.833 ' O ' ' N ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER 170.51 131.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 109.326 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.954 ' ND2' ' HB ' ' B' ' 61' ' ' VAL . 0.1 OUTLIER -8.44 -54.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.255 -179.973 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 1.096 ' HG ' HG23 ' B' ' 61' ' ' VAL . 0.4 OUTLIER -171.35 -59.24 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.435 1.085 . . . . 0.0 109.357 -179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.97 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -75.05 156.41 99.86 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 120.902 -2.541 . . . . 0.0 110.974 -0.024 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.972 ' CB ' HD12 ' B' ' 58' ' ' LEU . 6.5 m-20 154.97 -85.71 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.411 1.07 . . . . 0.0 109.333 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 1.096 HG23 ' HG ' ' B' ' 58' ' ' LEU . 45.1 t 8.86 -101.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.564 1.165 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.73 ' N ' HG12 ' B' ' 61' ' ' VAL . 1.5 m -113.75 -45.97 3.06 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.441 1.088 . . . . 0.0 108.341 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.673 ' HA ' ' OD1' ' B' ' 57' ' ' ASN . 18.5 m-20 82.99 21.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.429 1.081 . . . . 0.0 109.278 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.505 ' O ' ' O ' ' B' ' 68' ' ' GLY . 8.5 mmt -51.19 80.5 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.605 1.191 . . . . 0.0 111.022 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.6 ' N ' ' O ' ' B' ' 63' ' ' ASN . 3.0 ttpt -71.84 -1.12 13.02 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.42 1.075 . . . . 0.0 109.268 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -108.06 -36.63 6.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.624 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.8 OUTLIER -93.77 -61.52 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.624 ' N ' HG22 ' B' ' 67' ' ' ILE . . . -176.55 -179.7 47.12 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.436 1.085 . . . . 0.0 110.936 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 1.209 ' O ' ' CD ' ' B' ' 71' ' ' PRO . 5.1 t -102.0 -125.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 0.767 . . . . 0.0 110.418 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.687 ' SG ' HG23 ' B' ' 69' ' ' THR . 0.7 OUTLIER -33.29 74.46 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.106 . . . . 0.0 108.288 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 1.209 ' CD ' ' O ' ' B' ' 69' ' ' THR . 18.1 Cg_endo -75.04 160.26 40.26 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.489 1.784 . . . . 0.0 110.995 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 1.117 ' HD1' ' O ' ' B' ' 71' ' ' PRO . 0.5 OUTLIER 174.39 161.99 0.19 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.558 1.162 . . . . 0.0 111.002 179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.584 HG13 ' OE2' ' B' ' 21' ' ' GLU . 13.0 tt -114.39 152.71 16.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.798 ' HB2' ' HB2' ' B' ' 25' ' ' CYS . . . -117.6 -73.68 0.63 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.635 ' N ' ' OE2' ' B' ' 21' ' ' GLU . 2.1 mm . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.13 . . . . 0.0 109.363 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.416 ' H1 ' ' NE2' ' A' ' 1' ' ' GLN . 2.8 mp0 . . . . . 0 N--CA 1.454 -0.251 0 N-CA-C 110.346 -0.242 . . . . 0.0 110.346 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 128.82 11.76 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.521 1.801 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.477 ' O ' ' N ' ' A' ' 7' ' ' ARG . 0.0 OUTLIER -80.53 -42.09 23.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 110.284 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.38 -37.79 5.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.43 1.081 . . . . 0.0 109.328 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.472 ' HB2' ' CG1' ' B' ' 24' ' ' VAL . 8.7 t -49.72 -69.23 0.12 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.508 1.13 . . . . 0.0 108.274 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -53.15 18.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.491 1.12 . . . . 0.0 110.288 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.516 ' O ' ' CG ' ' A' ' 11' ' ' GLN . 17.0 mmm-85 -40.17 -42.52 1.49 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.557 1.161 . . . . 0.0 110.289 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.64 ' O ' ' N ' ' A' ' 12' ' ' GLU . 1.5 tm-20 -64.94 -80.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.289 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.769 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 0.0 OUTLIER -38.19 -32.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.591 1.182 . . . . 0.0 111.031 179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.565 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -82.14 -40.39 21.9 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.553 ' N ' ' O ' ' A' ' 8' ' ' GLU . 7.6 mm100 -82.46 -37.3 25.59 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' N ' ' O ' ' A' ' 8' ' ' GLU . 0.2 OUTLIER -46.48 -83.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.302 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 1.0 OUTLIER 179.11 50.12 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 0.0 OUTLIER 1.31 93.54 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.569 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.029 HD12 ' HG2' ' B' ' 17' ' ' GLU . 0.0 OUTLIER -40.61 156.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.138 . . . . 0.0 109.273 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.783 ' O ' ' N ' ' A' ' 19' ' ' GLN . 3.4 ttt-85 -113.25 -40.27 3.95 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.04 -35.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.445 1.091 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.993 ' O ' HG22 ' A' ' 22' ' ' ILE . 81.4 m -81.73 -33.01 31.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 0.0 108.248 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.94 ' HA ' ' CG2' ' A' ' 22' ' ' ILE . 1.5 tm0? -33.29 -28.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.639 ' N ' ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -42.91 -83.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.102 . . . . 0.0 110.302 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.986 ' CZ2' ' O ' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -72.55 -60.79 2.06 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 108.021 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.993 HG22 ' O ' ' A' ' 18' ' ' CYS . 0.0 OUTLIER -22.02 -51.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.142 . . . . 0.0 109.33 179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.659 ' HA ' HG11 ' B' ' 37' ' ' VAL . 0.6 OUTLIER -82.84 -52.75 6.44 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.521 1.138 . . . . 0.0 110.249 -179.97 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.543 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 34.1 tt0 -49.84 -47.8 51.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.115 . . . . 0.0 110.284 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.542 ' HB2' ' CD1' ' A' ' 21' ' ' TRP . 1.3 tm0? -46.86 -58.66 3.7 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.438 1.086 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.762 HD11 ' O ' ' B' ' 34' ' ' ALA . 19.0 mt -46.5 -49.07 18.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.543 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . -47.89 100.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -108.33 116.97 4.92 Favored Glycine 0 CA--C 1.531 1.057 0 O-C-N 124.508 1.13 . . . . 0.0 110.986 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.8 p -45.81 156.68 0.43 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 154.0 41.95 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.523 1.801 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 31.7 m-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.986 180.0 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.301 -0.259 . . . . 0.0 110.301 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 13.5 p -82.65 168.14 17.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.987 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . -178.02 -61.89 0.07 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.466 1.104 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 139.99 24.95 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.479 1.779 . . . . 0.0 110.974 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 -67.32 111.41 4.0 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.569 1.168 . . . . 0.0 110.338 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 -53.41 177.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.331 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 159.47 -74.41 0.21 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 148.09 34.78 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.465 1.771 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 18.7 m95 -105.59 85.89 2.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 107.983 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.508 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.3 OUTLIER -71.17 -41.75 69.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.591 1.182 . . . . 0.0 109.253 -179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.434 ' O ' ' N ' ' B' ' 14' ' ' CYS . 1.2 ptp180 -40.67 -44.62 2.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.137 . . . . 0.0 110.26 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 68.7 mt-10 -41.11 -44.05 2.4 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.483 1.115 . . . . 0.0 110.349 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.419 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 14.4 mm-40 -48.34 -40.99 27.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.448 ' SG ' ' HG ' ' A' ' 15' ' ' LEU . 0.5 OUTLIER -53.01 -47.61 68.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 108.309 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.588 ' HB2' HG22 ' B' ' 61' ' ' VAL . 50.5 t -68.53 -60.62 2.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 108.233 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.405 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -40.12 -39.05 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 1.029 ' HG2' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -67.72 -38.12 83.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.446 1.091 . . . . 0.0 110.332 179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.607 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -79.11 -43.8 23.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.351 179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.446 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.0 OUTLIER -62.25 -51.87 66.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 1.111 . . . . 0.0 111.026 179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' B' ' 19' ' ' TYR . 4.7 mt-30 -38.52 -38.11 0.36 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.15 . . . . 0.0 110.297 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.426 ' CD ' ' OE2' ' A' ' 8' ' ' GLU . 6.0 tp10 -82.07 -142.9 0.05 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.264 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.496 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -113.87 120.21 39.94 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.264 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.481 ' O ' ' N ' ' B' ' 25' ' ' CYS . 4.5 pp0? -45.88 -16.95 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.274 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.523 ' C ' ' H ' ' B' ' 26' ' ' VAL . 0.5 OUTLIER -37.21 -31.26 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.348 179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.669 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 70.9 m -78.06 38.55 0.28 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.424 1.077 . . . . 0.0 108.248 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.828 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.3 t -37.03 -85.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.049 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -126.33 4.65 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 108.307 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 1.049 ' CD ' ' N ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -10.84 21.43 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -83.22 -74.62 0.35 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.524 1.14 . . . . 0.0 110.381 -179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.003 ' HG ' ' HB3' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -35.45 -38.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.446 1.091 . . . . 0.0 109.286 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.686 ' HA ' ' CD2' ' B' ' 52' ' ' TYR . 13.7 mttt -40.81 -61.47 0.96 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 109.274 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.419 ' O ' ' HB2' ' B' ' 36' ' ' SER . 0.2 OUTLIER -83.73 -38.34 21.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 110.282 -179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.999 ' HB1' ' O ' ' B' ' 73' ' ' ILE . . . -50.96 -65.77 0.5 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.762 ' O ' HD11 ' A' ' 26' ' ' LEU . . . -51.87 -66.11 0.44 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.414 1.071 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.683 ' O ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -36.01 -39.4 0.16 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.529 1.143 . . . . 0.0 109.325 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.633 ' O ' ' CG2' ' B' ' 75' ' ' ILE . 0.5 OUTLIER -85.87 -39.74 16.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.029 179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.855 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.1 t -31.77 -84.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.855 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.0 OUTLIER -92.83 -67.36 0.86 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.522 1.139 . . . . 0.0 110.32 179.955 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.86 HG21 ' CD2' ' B' ' 43' ' ' HIS . 6.3 m -63.55 179.03 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 176.38 -70.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.448 1.093 . . . . 0.0 110.316 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 -61.78 4.16 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.61 1.194 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -6.3 3.28 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.484 0.755 . . . . 0.0 110.334 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.86 ' CD2' HG21 ' B' ' 39' ' ' VAL . 0.2 OUTLIER -104.44 47.21 0.88 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.589 -179.905 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.605 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -64.46 -44.27 95.49 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.49 1.119 . . . . 0.0 111.0 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.605 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.6 Cg_endo -74.91 128.86 11.89 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.518 1.799 . . . . 0.0 111.036 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.53 ' O ' ' HB ' ' B' ' 49' ' ' THR . 3.9 m-85 -100.72 20.44 15.19 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -48.9 -14.63 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.474 1.109 . . . . 0.0 110.251 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.884 ' HA ' HG23 ' B' ' 51' ' ' ILE . 3.2 m -75.52 -35.69 60.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.454 1.096 . . . . 0.0 110.043 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.53 ' HB ' ' O ' ' B' ' 46' ' ' PHE . 0.3 OUTLIER -33.89 -38.33 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.541 1.15 . . . . 0.0 110.477 179.913 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.425 ' N ' ' O ' ' B' ' 48' ' ' SER . 8.4 ttt180 -80.11 -59.7 2.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.884 HG23 ' HA ' ' B' ' 48' ' ' SER . 0.0 OUTLIER -59.86 -42.31 88.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.568 1.167 . . . . 0.0 109.358 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.686 ' CD2' ' HA ' ' B' ' 31' ' ' LYS . 0.2 OUTLIER -31.77 -39.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.411 1.069 . . . . 0.0 111.0 -179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' B' ' 51' ' ' ILE . 1.5 tm0? -38.22 -36.11 0.2 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.307 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 1.069 ' O ' ' O ' ' B' ' 55' ' ' ALA . 11.3 pt -62.98 -59.04 5.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.525 1.141 . . . . 0.0 109.264 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 1.069 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 14.18 -157.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.301 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.986 ' O ' ' CZ2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER 167.93 114.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 0.0 109.371 -179.935 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 1.001 ' HB2' HG22 ' B' ' 69' ' ' THR . 0.1 OUTLIER -35.01 -30.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.923 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.975 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 2.7 mt -161.03 -55.16 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 109.272 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.975 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -75.08 164.26 88.77 Favored 'Cis proline' 0 C--N 1.361 1.187 0 C-N-CA 120.936 -2.526 . . . . 0.0 110.995 0.038 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.946 ' CB ' HD12 ' B' ' 58' ' ' LEU . 2.7 m-20 159.41 -63.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.426 1.079 . . . . 0.0 109.303 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.922 HG11 ' OD1' ' B' ' 57' ' ' ASN . 7.8 p 9.48 -124.52 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.874 ' H ' HG13 ' B' ' 61' ' ' VAL . 0.5 OUTLIER -68.85 -91.05 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.521 1.138 . . . . 0.0 108.29 179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.619 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 0.6 OUTLIER 146.61 56.91 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.281 -179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.593 ' CG ' ' O ' ' B' ' 64' ' ' MET . 11.1 ptp -140.72 108.05 5.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -72.65 -0.44 13.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -76.85 -26.65 54.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.607 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.5 OUTLIER -100.72 -61.56 2.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.432 1.082 . . . . 0.0 109.281 -179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.607 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 133.36 158.38 8.7 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 1.001 HG22 ' HB2' ' B' ' 57' ' ' ASN . 0.1 OUTLIER -107.47 119.02 38.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 0.77 . . . . 0.0 110.448 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 1.003 ' HB3' ' HG ' ' B' ' 30' ' ' LEU . 1.5 m -162.03 152.41 14.37 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 108.296 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.969 ' N ' ' HH2' ' A' ' 21' ' ' TRP . 18.1 Cg_endo -75.06 127.57 10.75 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.379 1.726 . . . . 0.0 110.931 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.903 ' O ' HD21 ' A' ' 15' ' ' LEU . 29.8 m-85 -116.42 58.49 0.75 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 111.012 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.999 ' O ' ' HB1' ' B' ' 33' ' ' ALA . 0.1 OUTLIER -150.06 144.01 17.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 109.329 -179.922 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.689 ' H ' ' HB3' ' A' ' 14' ' ' HIS . . . -119.87 -118.57 0.31 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.428 1.08 . . . . 0.0 109.275 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.633 ' CG2' ' O ' ' B' ' 36' ' ' SER . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.472 ' H2 ' ' HD3' ' A' ' 2' ' ' PRO . 3.4 pt20 . . . . . 0 N--CA 1.454 -0.263 0 N-CA-C 110.227 -0.286 . . . . 0.0 110.227 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.472 ' HD3' ' H2 ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -74.99 129.14 12.08 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.477 1.778 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 -75.05 -53.66 8.51 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.522 1.139 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.9 mtmt -45.24 -42.18 9.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 1.5 m -52.54 -60.93 2.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.366 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.604 ' O ' ' CB ' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -64.63 -57.72 8.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 110.293 179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.531 ' O ' ' HB3' ' A' ' 11' ' ' GLN . 0.0 OUTLIER -42.02 -63.32 0.76 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.493 1.12 . . . . 0.0 110.274 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.475 ' HA ' ' CG ' ' A' ' 11' ' ' GLN . 22.7 mt-10 -36.82 -36.8 0.12 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.453 1.096 . . . . 0.0 110.287 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.885 ' CE2' ' CE1' ' A' ' 14' ' ' HIS . 8.8 t80 -53.56 -70.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.458 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.9 tt0 -73.45 -38.96 65.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.148 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -36.84 -42.05 0.36 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 -179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.582 ' HB3' ' O ' ' B' ' 74' ' ' ALA . 3.7 mm-40 -89.62 -93.11 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.565 1.166 . . . . 0.0 110.302 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 1.002 ' O ' ' O ' ' A' ' 14' ' ' HIS . 1.8 mt-30 178.93 73.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.443 1.089 . . . . 0.0 110.263 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 1.002 ' O ' ' O ' ' A' ' 13' ' ' GLN . 9.9 m170 -4.0 139.74 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 109.596 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.775 HD22 ' H ' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -54.96 -177.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 109.333 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' O ' ' N ' ' A' ' 19' ' ' GLN . 2.4 mtt180 -116.5 -64.47 1.31 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.3 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -41.03 -35.47 0.55 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.285 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 59.7 m -81.79 -39.88 23.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 108.314 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.619 ' O ' HG22 ' A' ' 22' ' ' ILE . 0.6 OUTLIER -48.26 -32.89 7.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.322 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.71 ' O ' ' N ' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -39.77 -80.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.869 ' CE3' ' CD2' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -53.19 -64.02 0.96 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.117 . . . . 0.0 108.011 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.659 HG12 ' CH2' ' A' ' 21' ' ' TRP . 0.3 OUTLIER -30.26 -48.24 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.342 -179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.418 ' N ' ' CG2' ' A' ' 22' ' ' ILE . 0.5 OUTLIER -88.21 -64.71 1.11 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.61 1.194 . . . . 0.0 110.32 179.979 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.71 ' N ' ' O ' ' A' ' 20' ' ' GLN . 35.8 tp60 -39.85 -36.83 0.48 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.15 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.66 ' HG3' HD11 ' B' ' 51' ' ' ILE . 4.7 tm0? -35.38 -39.86 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.325 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.793 HD13 ' HB2' ' B' ' 43' ' ' HIS . 4.3 mt -56.41 -50.74 70.76 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.436 1.085 . . . . 0.0 109.327 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.545 ' N ' ' O ' ' A' ' 24' ' ' GLN . . . -48.6 173.1 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.57 1.169 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -169.34 43.91 0.21 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.969 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 10.0 t -38.8 102.44 0.25 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 109.983 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 143.48 29.21 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.414 1.744 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.563 1.165 . . . . 0.0 110.993 -179.996 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 . . . . . 0 N--CA 1.452 -0.339 0 N-CA-C 110.308 -0.256 . . . . 0.0 110.308 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -76.87 59.29 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.045 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 120.36 -80.01 0.33 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.512 1.132 . . . . 0.0 111.061 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.17 27.48 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.478 1.778 . . . . 0.0 110.994 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 6.0 pm0 -123.32 98.79 6.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 110.296 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -140.03 56.1 1.63 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.509 1.131 . . . . 0.0 110.267 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.21 -79.3 1.0 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 153.86 42.17 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -130.52 53.85 1.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.04 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -77.54 -40.9 41.0 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -53.69 33.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.564 1.165 . . . . 0.0 110.277 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.402 ' O ' ' N ' ' B' ' 16' ' ' ASN . 14.5 mt-10 -40.78 -42.53 1.8 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.424 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 12.7 tt0 -45.89 -48.4 16.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.556 1.16 . . . . 0.0 110.307 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.455 ' O ' ' CE1' ' B' ' 72' ' ' PHE . 0.5 OUTLIER -50.51 -51.23 49.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.585 1.178 . . . . 0.0 108.265 -179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.701 ' O ' ' N ' ' B' ' 19' ' ' TYR . 0.0 OUTLIER -67.68 -61.17 2.01 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.501 1.126 . . . . 0.0 108.277 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.516 ' N ' ' SG ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -37.38 -35.82 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.321 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.856 ' CG ' ' CE2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -79.76 -38.77 32.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.451 1.094 . . . . 0.0 110.31 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.971 HD13 HG11 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -83.63 -53.29 5.76 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.538 1.149 . . . . 0.0 109.346 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.701 ' N ' ' O ' ' B' ' 15' ' ' CYS . 0.0 OUTLIER -33.58 -36.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.563 1.164 . . . . 0.0 110.94 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.444 ' N ' ' O ' ' B' ' 18' ' ' LEU . 1.1 mm-40 -54.06 -36.87 63.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.351 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.603 ' N ' ' O ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -81.05 -151.08 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.345 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.705 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.0 OUTLIER -130.02 113.76 14.96 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.111 . . . . 0.0 109.278 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 1.002 ' HA ' ' HB ' ' B' ' 26' ' ' VAL . 0.0 OUTLIER -50.09 -6.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.25 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.631 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -39.31 -42.78 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.138 . . . . 0.0 109.276 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 1.07 ' O ' HG23 ' B' ' 29' ' ' THR . 18.4 m -131.57 3.32 4.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 108.304 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 1.002 ' HB ' ' HA ' ' B' ' 23' ' ' GLN . 26.7 t -84.28 -24.11 7.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 0.645 ' N ' ' CD ' ' B' ' 28' ' ' PRO . 0.8 OUTLIER -86.84 -45.12 0.54 Allowed Pre-proline 0 C--N 1.323 -0.552 0 O-C-N 124.571 1.169 . . . . 0.0 108.29 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 0.925 ' HG2' ' HA ' ' B' ' 25' ' ' CYS . 18.1 Cg_endo -75.01 -9.09 20.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 110.953 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 1.07 HG23 ' O ' ' B' ' 25' ' ' CYS . 0.0 OUTLIER -65.19 -38.19 89.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 -179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.809 HD12 ' C ' ' B' ' 30' ' ' LEU . 0.1 OUTLIER -48.34 -52.3 22.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.628 ' HB2' ' CD2' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -40.6 -38.41 0.87 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.435 1.084 . . . . 0.0 109.28 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.591 ' HB3' ' CD2' ' A' ' 9' ' ' PHE . 0.0 OUTLIER -68.07 -43.4 78.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.808 ' O ' HG23 ' B' ' 37' ' ' VAL . . . -57.97 -38.65 76.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.466 1.104 . . . . 0.0 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.514 ' O ' ' N ' ' B' ' 38' ' ' ARG . . . -64.97 -39.27 93.23 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.577 ' HB3' ' O ' ' B' ' 32' ' ' GLN . 0.9 OUTLIER -37.75 -58.02 0.94 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.158 . . . . 0.0 109.34 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . . . . . . . . . 59.0 m -69.61 -51.21 37.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 110.009 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.808 HG23 ' O ' ' B' ' 33' ' ' ALA . 29.1 t -53.73 -77.51 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 109.362 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.693 ' O ' ' C ' ' B' ' 39' ' ' VAL . 0.0 OUTLIER -13.02 -73.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 110.322 179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.693 ' C ' ' O ' ' B' ' 38' ' ' ARG . 54.1 t 0.9 81.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.27 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.693 ' C ' ' O ' ' B' ' 39' ' ' VAL . 2.6 tt0 0.65 -109.01 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.493 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 45.01 -94.46 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.527 1.142 . . . . 0.0 110.958 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' B' ' 40' ' ' GLN . 0.0 OUTLIER -83.28 -4.46 58.45 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 0.0 110.288 -179.942 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.793 ' HB2' HD13 ' A' ' 26' ' ' LEU . 5.8 t-160 -118.18 54.63 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.523 1.139 . . . . 0.0 109.623 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.634 ' O ' ' CE1' ' B' ' 46' ' ' PHE . . . -32.46 -55.99 0.45 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.454 1.096 . . . . 0.0 110.968 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.414 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.3 Cg_endo -74.89 150.62 38.99 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.438 1.757 . . . . 0.0 111.017 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.634 ' CE1' ' O ' ' B' ' 44' ' ' GLY . 1.0 OUTLIER -115.92 139.57 50.09 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.438 1.086 . . . . 0.0 110.995 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 1.055 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -174.73 47.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.683 ' O ' ' CD1' ' B' ' 52' ' ' TYR . 0.7 OUTLIER -55.54 -56.89 14.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 1.14 . . . . 0.0 109.999 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -46.24 -38.72 8.84 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.58 1.175 . . . . 0.0 110.408 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' B' ' 53' ' ' GLN . 0.4 OUTLIER -81.18 -72.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 0.0 110.321 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 1.055 HG22 ' O ' ' B' ' 47' ' ' GLN . 1.2 tp -36.44 -36.68 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.683 ' CD1' ' O ' ' B' ' 48' ' ' SER . 3.4 m-30 -63.16 -52.68 61.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.973 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.485 ' N ' ' O ' ' B' ' 50' ' ' ARG . 3.2 tm0? -81.42 -59.37 2.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 0.0 110.284 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.709 ' CG1' ' HA ' ' B' ' 51' ' ' ILE . 2.0 pp -36.08 -69.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.439 1.087 . . . . 0.0 109.311 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.662 ' H ' HG13 ' B' ' 54' ' ' ILE . . . -60.27 174.68 0.5 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.767 ' O ' ' HA ' ' B' ' 70' ' ' CYS . 0.0 OUTLIER 177.74 -100.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.372 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.924 ' HA ' ' O ' ' B' ' 69' ' ' THR . 2.0 t-20 -53.73 -45.36 70.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.892 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 1.9 mt 174.4 -52.98 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.892 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.3 Cg_endo -74.97 150.88 96.18 Favored 'Cis proline' 0 C--N 1.36 1.183 0 C-N-CA 121.038 -2.484 . . . . 0.0 110.992 -0.002 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.889 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 1.0 OUTLIER 155.11 -72.75 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.568 1.167 . . . . 0.0 109.303 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.809 HG12 ' N ' ' B' ' 62' ' ' CYS . 2.0 t 2.5 -82.37 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.547 1.154 . . . . 0.0 109.223 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.809 ' N ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -92.6 -90.64 0.18 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.572 1.17 . . . . 0.0 108.32 -179.963 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.636 ' CB ' ' O ' ' B' ' 62' ' ' CYS . 16.6 m-20 144.75 46.27 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.446 ' SD ' ' CE1' ' B' ' 19' ' ' TYR . 0.1 OUTLIER -135.29 90.28 2.6 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.975 -179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 7.5 mtmt -68.84 -3.15 11.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.407 ' CG ' ' N ' ' B' ' 67' ' ' ILE . 1.7 pt20 -70.92 -41.11 71.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.555 ' CG2' ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -122.31 -58.05 2.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.536 1.147 . . . . 0.0 109.315 -179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.555 ' N ' ' CG2' ' B' ' 67' ' ' ILE . . . 109.76 144.28 10.32 Favored Glycine 0 CA--C 1.529 0.93 0 O-C-N 124.476 1.11 . . . . 0.0 110.987 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.924 ' O ' ' HA ' ' B' ' 57' ' ' ASN . 36.2 m -135.57 91.39 2.71 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 0.762 . . . . 0.0 110.401 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.767 ' HA ' ' O ' ' B' ' 56' ' ' LYS . 1.9 m -71.36 -169.46 0.11 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.124 . . . . 0.0 108.367 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.738 ' O ' ' O ' ' B' ' 26' ' ' VAL . 18.5 Cg_endo -74.93 162.8 36.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.471 1.774 . . . . 0.0 111.039 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.856 ' CE2' ' CG ' ' B' ' 17' ' ' GLU . 2.6 p90 -124.87 -137.59 0.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.959 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.613 ' C ' ' CD1' ' A' ' 15' ' ' LEU . 2.7 pt -115.11 150.33 17.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.279 179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.582 ' O ' ' HB3' ' A' ' 12' ' ' GLU . . . -118.21 -167.48 1.36 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.149 . . . . 0.0 109.245 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 mp . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.567 1.167 . . . . 0.0 109.336 179.981 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.422 ' OE1' ' N ' ' A' ' 1' ' ' GLN . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.36 -0.237 . . . . 0.0 110.36 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.488 ' O ' ' CG ' ' A' ' 6' ' ' GLN . 18.5 Cg_endo -74.96 129.25 12.2 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.478 1.778 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -77.68 -43.78 30.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.251 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.9 mttt -56.83 -39.82 74.9 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.288 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.489 ' SG ' HG13 ' B' ' 24' ' ' VAL . 1.5 m -56.94 -66.78 0.39 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.434 1.084 . . . . 0.0 108.325 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.488 ' CG ' ' O ' ' A' ' 2' ' ' PRO . 0.0 OUTLIER -38.28 -39.62 0.45 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 110.313 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.3 mtt180 -75.39 -64.25 1.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.537 1.148 . . . . 0.0 110.305 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.514 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 0.2 OUTLIER -39.09 -39.35 0.56 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.421 1.076 . . . . 0.0 110.274 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.551 ' CZ ' ' HB2' ' B' ' 33' ' ' ALA . 28.9 t80 -45.67 -68.54 0.19 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 111.031 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.529 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 0.0 OUTLIER -79.16 -40.16 31.63 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.6 1.187 . . . . 0.0 110.245 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -51.51 -36.4 44.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 110.285 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.514 ' CG ' ' O ' ' A' ' 8' ' ' GLU . 6.0 mm-40 -74.32 -90.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.458 1.099 . . . . 0.0 110.287 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.697 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.2 OUTLIER 173.96 72.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.504 1.128 . . . . 0.0 110.225 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.697 ' C ' ' O ' ' A' ' 13' ' ' GLN . 21.3 m170 -7.18 120.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.492 1.12 . . . . 0.0 109.547 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.755 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.08 174.0 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.502 ' O ' ' N ' ' A' ' 18' ' ' CYS . 69.6 mtm-85 -119.05 -72.0 0.71 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.15 . . . . 0.0 110.28 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.487 ' C ' ' N ' ' A' ' 19' ' ' GLN . . . -34.75 -34.53 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.321 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.673 ' SG ' ' CD2' ' B' ' 72' ' ' PHE . 50.7 m -42.04 -25.49 0.07 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.117 . . . . 0.0 108.273 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.577 ' O ' ' CB ' ' A' ' 23' ' ' ARG . 3.8 mm-40 -35.58 -50.6 0.61 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.567 1.167 . . . . 0.0 110.343 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 23' ' ' ARG . 3.7 mt-30 -57.72 -39.52 77.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 110.282 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.417 ' CE2' ' HA ' ' B' ' 71' ' ' PRO . 0.7 OUTLIER -41.45 -67.77 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 0.0 108.024 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.836 HG12 ' HB2' ' B' ' 74' ' ' ALA . 0.2 OUTLIER -77.71 -53.34 14.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.543 1.152 . . . . 0.0 109.317 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.577 ' CB ' ' O ' ' A' ' 19' ' ' GLN . 3.6 ttt180 -40.32 -63.88 0.57 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.607 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 5.9 tt0 -54.76 -41.14 70.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.541 1.151 . . . . 0.0 110.291 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.2 tm0? -48.99 -55.26 12.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.582 1.176 . . . . 0.0 110.321 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.579 HD22 ' ND1' ' B' ' 43' ' ' HIS . 11.3 mt -60.12 -42.59 95.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.128 . . . . 0.0 109.335 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.607 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . -41.17 126.05 2.59 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.513 1.133 . . . . 0.0 109.229 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -90.83 -53.52 2.22 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.498 1.124 . . . . 0.0 110.916 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 1.7 m -119.77 83.06 28.13 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.401 0.706 . . . . 0.0 109.998 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.03 158.86 41.84 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.535 1.808 . . . . 0.0 110.933 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 110.941 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 36.2 mt-30 . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 110.28 -0.267 . . . . 0.0 110.28 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -64.75 146.77 54.32 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.483 1.114 . . . . 0.0 110.062 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.21 68.23 1.79 Allowed Glycine 0 CA--C 1.531 1.082 0 O-C-N 124.547 1.154 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 151.15 39.07 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.568 1.825 . . . . 0.0 111.013 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -120.19 102.35 8.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 0.0 110.325 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -73.94 63.89 0.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.429 1.081 . . . . 0.0 110.329 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.5 -162.85 19.69 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.538 1.149 . . . . 0.0 110.932 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 143.63 29.42 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.452 1.764 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 3.0 m95 -139.25 176.11 8.99 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 108.038 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mt -74.78 -49.94 19.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.289 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.484 ' CZ ' ' OE1' ' B' ' 12' ' ' GLU . 21.7 ptt85 -52.87 -43.88 66.44 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 110.251 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . 0.484 ' OE1' ' CZ ' ' B' ' 11' ' ' ARG . 0.3 OUTLIER -71.92 -40.58 68.68 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 110.342 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' B' ' 17' ' ' GLU . 1.5 mm100 -47.86 -55.07 10.62 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.514 1.134 . . . . 0.0 110.232 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -55.65 -48.46 74.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.553 1.158 . . . . 0.0 108.282 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.644 ' HB2' HG13 ' B' ' 61' ' ' VAL . 2.4 t -58.22 -38.89 77.71 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.465 1.103 . . . . 0.0 108.272 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.409 ' N ' ' O ' ' B' ' 12' ' ' GLU . 0.6 OUTLIER -71.09 -37.68 72.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.445 1.09 . . . . 0.0 109.348 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.487 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -56.67 -39.01 73.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.281 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.874 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.1 OUTLIER -77.77 -39.22 44.84 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.244 -179.942 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.451 ' CE1' ' SD ' ' B' ' 64' ' ' MET . 0.3 OUTLIER -58.64 -71.29 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.512 1.132 . . . . 0.0 110.998 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.415 ' O ' ' O ' ' B' ' 21' ' ' GLU . 0.4 OUTLIER -39.63 -35.66 0.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 110.341 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.415 ' O ' ' O ' ' B' ' 20' ' ' GLN . 0.6 OUTLIER -60.4 -141.24 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.471 1.107 . . . . 0.0 110.31 179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.495 ' C ' ' N ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -115.12 116.89 29.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 109.315 179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.489 ' O ' ' N ' ' B' ' 25' ' ' CYS . 0.2 OUTLIER -47.05 -15.69 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.495 ' N ' ' C ' ' B' ' 22' ' ' ASP . 0.5 OUTLIER -36.97 -31.58 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.59 ' C ' ' HD2' ' B' ' 28' ' ' PRO . 81.8 m -96.87 55.26 1.34 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.131 . . . . 0.0 108.239 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.756 HG12 ' N ' ' B' ' 27' ' ' CYS . 2.4 t -33.53 -83.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.501 1.126 . . . . 0.0 109.245 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.004 ' N ' ' HD3' ' B' ' 28' ' ' PRO . 0.1 OUTLIER -138.86 22.67 0.06 OUTLIER Pre-proline 0 C--N 1.324 -0.53 0 O-C-N 124.528 1.143 . . . . 0.0 108.322 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 1.004 ' HD3' ' N ' ' B' ' 27' ' ' CYS . 18.3 Cg_endo -74.99 -25.64 11.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.432 1.754 . . . . 0.0 111.013 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 0.457 ' O ' ' C ' ' B' ' 30' ' ' LEU . 0.3 OUTLIER -67.01 -74.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 179.957 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.053 ' HB3' ' O ' ' B' ' 71' ' ' PRO . 0.0 OUTLIER -36.0 -39.43 0.16 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 179.951 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.516 ' HG3' ' CE1' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -38.49 -55.22 1.43 Allowed 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.527 1.142 . . . . 0.0 109.231 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.41 ' O ' ' HB3' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -81.86 -48.57 11.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.469 1.106 . . . . 0.0 110.28 179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.793 ' HB1' ' C ' ' B' ' 72' ' ' PHE . . . -42.32 -49.61 5.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.293 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' B' ' 35' ' ' LYS . . . -74.81 -41.19 60.41 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.447 1.092 . . . . 0.0 109.301 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.518 ' O ' ' CG1' ' B' ' 39' ' ' VAL . 13.8 tptm -39.06 -34.76 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 1.099 . . . . 0.0 109.273 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.499 ' O ' HG22 ' B' ' 39' ' ' VAL . 19.7 m -80.64 -65.09 1.05 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.957 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.81 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -50.82 -85.71 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.81 ' N ' HG12 ' B' ' 37' ' ' VAL . 1.1 mmt180 -23.02 -101.15 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 110.308 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.692 ' C ' ' O ' ' B' ' 38' ' ' ARG . 2.5 m -7.34 109.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.457 ' C ' ' O ' ' B' ' 39' ' ' VAL . 12.0 tm0? -34.28 150.18 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . . . . . . . . . . . 153.1 -43.5 0.63 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.546 1.154 . . . . 0.0 110.969 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 1.6 mm-40 -125.53 -3.83 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 0.744 . . . . 0.0 110.275 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.784 ' CD2' ' CE2' ' B' ' 46' ' ' PHE . 38.5 t60 -149.9 59.67 0.99 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.529 1.143 . . . . 0.0 109.557 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.49 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . 33.93 -156.82 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.443 1.09 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.411 ' HA ' ' HB2' ' B' ' 40' ' ' GLN . 18.3 Cg_endo -75.02 157.75 42.5 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.55 1.816 . . . . 0.0 111.028 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . 0.784 ' CE2' ' CD2' ' B' ' 43' ' ' HIS . 0.0 OUTLIER -156.28 145.9 20.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 110.951 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.513 ' O ' HG22 ' B' ' 51' ' ' ILE . 0.7 OUTLIER -87.83 41.2 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.677 ' O ' ' N ' ' B' ' 52' ' ' TYR . 76.0 p -67.64 -53.2 29.83 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.117 . . . . 0.0 109.98 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.477 ' C ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -32.38 -37.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 110.355 -179.954 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' B' ' 48' ' ' SER . 0.4 OUTLIER -82.99 -72.36 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.536 1.147 . . . . 0.0 110.312 179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.764 HG23 ' HE3' ' B' ' 56' ' ' LYS . 4.4 tp -51.06 -38.83 18.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.514 1.134 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.677 ' N ' ' O ' ' B' ' 48' ' ' SER . 19.8 t80 -40.59 -33.27 0.26 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 110.955 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' B' ' 52' ' ' TYR . 2.9 tm0? -35.69 -72.54 0.05 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 110.284 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 1.034 HG23 ' H ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -80.35 -77.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 1.077 ' HB3' HG23 ' B' ' 69' ' ' THR . . . -178.37 -147.67 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.927 ' O ' ' CH2' ' A' ' 21' ' ' TRP . 0.0 OUTLIER -178.63 86.25 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.457 1.098 . . . . 0.0 109.362 179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.982 ' O ' HG23 ' B' ' 61' ' ' VAL . 0.2 OUTLIER -35.68 -56.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.414 1.071 . . . . 0.0 109.354 179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.968 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.3 OUTLIER 172.05 -53.78 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.446 0 O-C-N 124.442 1.089 . . . . 0.0 109.259 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.968 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.1 Cg_endo -75.12 160.41 96.49 Favored 'Cis proline' 0 C--N 1.36 1.153 0 C-N-CA 120.975 -2.51 . . . . 0.0 110.932 0.145 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.807 ' HB2' ' CB ' ' B' ' 58' ' ' LEU . 1.5 m120 160.64 -68.63 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.449 1.093 . . . . 0.0 109.252 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 0.982 HG12 ' SG ' ' B' ' 62' ' ' CYS . 58.0 t 0.35 -106.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.982 ' SG ' HG12 ' B' ' 61' ' ' VAL . 0.1 OUTLIER -122.74 7.6 9.4 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 0.0 108.323 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.457 ' CG ' ' C ' ' B' ' 62' ' ' CYS . 0.1 OUTLIER 44.21 38.64 2.49 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.535 ' CG ' ' SG ' ' B' ' 62' ' ' CYS . 0.3 OUTLIER -66.84 81.08 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.536 1.147 . . . . 0.0 111.027 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . 0.49 ' O ' ' CG ' ' B' ' 65' ' ' LYS . 12.7 tttm -72.65 -1.78 17.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 109.339 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 1.7 mt-30 -89.68 -66.32 0.93 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 110.313 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.477 ' H ' HD13 ' B' ' 67' ' ' ILE . 0.0 OUTLIER -79.22 -83.59 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . . . . . . . . . . . 173.52 167.91 33.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.447 1.092 . . . . 0.0 110.994 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 1.077 HG23 ' HB3' ' B' ' 55' ' ' ALA . 0.5 OUTLIER -81.76 -169.81 2.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.446 0.733 . . . . 0.0 110.433 179.993 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.832 ' O ' ' NE1' ' A' ' 21' ' ' TRP . 1.3 m 174.79 115.32 0.1 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.433 1.083 . . . . 0.0 108.3 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 1.417 ' HA ' ' CE2' ' A' ' 21' ' ' TRP . 18.4 Cg_endo -74.95 164.84 32.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 111.09 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.793 ' C ' ' HB1' ' B' ' 33' ' ' ALA . 21.9 m-85 -136.01 -154.1 0.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 110.915 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.487 HD12 ' O ' ' B' ' 75' ' ' ILE . 0.8 OUTLIER -100.29 -174.14 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 109.35 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.836 ' HB2' HG12 ' A' ' 22' ' ' ILE . . . -136.81 -83.25 0.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.305 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.487 ' O ' HD12 ' B' ' 73' ' ' ILE . 7.4 mt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.444 1.09 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.402 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 42.4 mt-30 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.257 -0.275 . . . . 0.0 110.257 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.402 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.4 Cg_endo -75.09 130.68 13.41 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.495 1.787 . . . . 0.0 110.952 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . 0.447 ' O ' ' C ' ' A' ' 4' ' ' LYS . 0.0 OUTLIER -73.47 -33.43 64.85 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.606 ' O ' ' N ' ' A' ' 8' ' ' GLU . 10.0 mtmm -36.56 -51.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.603 1.189 . . . . 0.0 109.355 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.501 ' SG ' ' CG2' ' B' ' 24' ' ' VAL . 0.1 OUTLIER -63.45 -76.29 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 108.285 179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 5' ' ' CYS . 0.0 OUTLIER -36.79 -38.19 0.17 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.407 ' N ' ' O ' ' A' ' 3' ' ' GLN . 3.0 ttt-85 -78.52 -46.68 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.606 ' N ' ' O ' ' A' ' 4' ' ' LYS . 0.2 OUTLIER -40.53 -40.23 1.2 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.507 1.13 . . . . 0.0 110.231 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.44 ' HZ ' ' HA ' ' B' ' 33' ' ' ALA . 3.1 t80 -34.83 -68.63 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.928 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.435 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 2.2 tt0 -85.18 -36.54 20.96 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.502 1.126 . . . . 0.0 110.335 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -39.3 -50.94 2.04 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.099 . . . . 0.0 110.354 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.729 ' CG ' ' H ' ' A' ' 13' ' ' GLN . 1.1 pt-20 -73.66 -87.15 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.164 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.729 ' H ' ' CG ' ' A' ' 12' ' ' GLU . 1.5 mt-30 171.99 72.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 110.316 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.688 ' C ' ' O ' ' A' ' 13' ' ' GLN . 20.1 m170 10.17 87.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.457 1.098 . . . . 0.0 109.621 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.802 ' H ' HD13 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -27.11 148.91 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.927 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.753 ' O ' ' N ' ' A' ' 19' ' ' GLN . 21.3 mtt-85 -103.23 -52.02 3.11 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.497 1.123 . . . . 0.0 110.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.438 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -37.38 -29.42 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.419 1.074 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.661 ' SG ' ' CG ' ' B' ' 72' ' ' PHE . 63.5 m -58.45 -27.68 64.59 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.534 1.146 . . . . 0.0 108.336 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.753 ' N ' ' O ' ' A' ' 16' ' ' ARG . 0.0 OUTLIER -35.88 -39.66 0.16 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.463 1.102 . . . . 0.0 110.361 179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.484 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 0.0 OUTLIER -75.2 -37.57 61.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.318 179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 1.131 ' CD1' HG21 ' B' ' 61' ' ' VAL . 0.0 OUTLIER -53.39 -51.7 61.69 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 0.0 107.98 179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.97 HG21 HG21 ' B' ' 37' ' ' VAL . 2.4 pp -75.76 -57.73 5.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.585 1.178 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.763 ' N ' HD12 ' A' ' 22' ' ' ILE . 0.3 OUTLIER -37.25 -57.48 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.493 1.12 . . . . 0.0 110.289 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.57 ' CG ' HD13 ' B' ' 58' ' ' LEU . 1.1 tt0 -49.51 -36.65 23.86 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.546 1.154 . . . . 0.0 110.305 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' A' ' 22' ' ' ILE . 0.9 OUTLIER -49.88 -66.73 0.34 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.471 1.107 . . . . 0.0 110.282 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.887 HD11 ' CD ' ' B' ' 38' ' ' ARG . 3.8 mt -49.12 -48.35 44.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.118 . . . . 0.0 109.335 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.551 ' HB3' ' O ' ' A' ' 24' ' ' GLN . . . -40.81 160.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.13 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . 0.409 ' O ' ' C ' ' A' ' 29' ' ' SER . . . -153.35 -78.76 0.02 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.499 1.124 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 28' ' ' GLY . 0.5 OUTLIER -38.91 100.1 0.2 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.51 0.771 . . . . 0.0 109.96 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 139.28 23.98 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.548 1.815 . . . . 0.0 111.042 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 0.0 111.025 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . . . . . . . . . 3.2 pt20 . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 110.262 -0.273 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . 0.404 ' O ' ' C ' ' B' ' 3' ' ' GLY . 2.1 m -41.47 148.42 0.14 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.963 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' B' ' 2' ' ' SER . . . -37.63 99.59 0.01 OUTLIER Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.475 1.11 . . . . 0.0 111.028 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 156.49 42.78 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.477 1.777 . . . . 0.0 111.028 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -110.18 171.98 7.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.239 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.17 163.46 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 110.275 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . 0.516 ' O ' ' CE2' ' B' ' 9' ' ' TRP . . . 175.72 177.24 44.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.505 1.128 . . . . 0.0 110.968 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' B' ' 9' ' ' TRP . 18.7 Cg_endo -74.95 150.16 37.99 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.437 1.757 . . . . 0.0 111.008 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . 0.516 ' CE2' ' O ' ' B' ' 7' ' ' GLY . 1.5 m-90 -143.6 55.44 1.34 Allowed 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -74.71 -40.78 61.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -55.21 27.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.319 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -49.39 -41.09 38.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -47.51 -53.4 14.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.442 1.089 . . . . 0.0 110.302 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.532 ' SG ' ' N ' ' A' ' 18' ' ' CYS . 0.1 OUTLIER -52.72 -38.47 60.81 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 108.29 -179.926 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.653 ' HB2' HG13 ' B' ' 61' ' ' VAL . 49.8 t -72.53 -40.7 66.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 108.296 179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.745 ' O ' ' N ' ' B' ' 20' ' ' GLN . 0.8 OUTLIER -55.75 -36.17 67.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.555 1.16 . . . . 0.0 109.29 179.995 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.403 ' HB2' ' O ' ' B' ' 14' ' ' CYS . 38.4 mm-40 -48.73 -47.25 41.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.248 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.892 HD12 ' C ' ' B' ' 18' ' ' LEU . 0.2 OUTLIER -71.83 -42.52 66.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.631 ' N ' HD12 ' B' ' 18' ' ' LEU . 0.2 OUTLIER -69.36 -35.23 75.66 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.465 1.103 . . . . 0.0 110.981 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . 0.745 ' N ' ' O ' ' B' ' 16' ' ' ASN . 1.2 mt-30 -37.3 -40.97 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.581 ' HG2' HG21 ' B' ' 24' ' ' VAL . 3.1 tp10 -101.72 -146.56 0.36 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.556 1.16 . . . . 0.0 110.36 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.54 ' C ' HG23 ' B' ' 26' ' ' VAL . 0.4 OUTLIER -125.79 -154.23 0.61 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.577 1.173 . . . . 0.0 109.246 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.627 ' HA ' ' CG2' ' B' ' 26' ' ' VAL . 2.8 pt20 -48.28 -22.83 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.605 1.191 . . . . 0.0 110.32 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.581 HG21 ' HG2' ' B' ' 21' ' ' GLU . 1.0 OUTLIER -47.47 -54.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 0.594 ' HA ' ' HG2' ' B' ' 28' ' ' PRO . 1.3 p -127.2 39.66 3.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 108.351 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 0.894 HG12 ' N ' ' B' ' 27' ' ' CYS . 0.9 OUTLIER -63.89 -77.38 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.53 1.144 . . . . 0.0 109.332 179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.084 ' H ' ' HD3' ' B' ' 28' ' ' PRO . 0.9 OUTLIER -120.54 1.12 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.464 1.103 . . . . 0.0 108.266 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 1.084 ' HD3' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -75.06 -13.19 21.35 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.519 1.8 . . . . 0.0 110.973 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -81.29 -72.9 0.4 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.096 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.957 HD23 ' HB2' ' B' ' 70' ' ' CYS . 0.0 OUTLIER -40.79 -38.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.262 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.473 ' O ' ' CE1' ' B' ' 52' ' ' TYR . 21.6 mtpt -39.21 -67.71 0.2 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.269 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.594 ' O ' ' N ' ' B' ' 35' ' ' LYS . 0.1 OUTLIER -73.41 -46.46 48.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.516 1.135 . . . . 0.0 110.247 -179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.882 ' HB1' ' N ' ' B' ' 73' ' ' ILE . . . -39.31 -44.5 1.3 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.663 ' CB ' ' HG2' ' B' ' 71' ' ' PRO . . . -72.39 -36.37 68.68 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.509 1.131 . . . . 0.0 109.274 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.803 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.1 OUTLIER -33.76 -83.59 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.255 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 30.5 m -59.6 -37.88 79.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.97 HG21 HG21 ' A' ' 22' ' ' ILE . 0.5 OUTLIER -36.19 -69.51 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 0.0 109.33 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.887 ' CD ' HD11 ' A' ' 26' ' ' LEU . 6.1 mmp_? -95.75 -103.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.432 1.082 . . . . 0.0 110.267 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.863 HG23 ' O ' ' B' ' 39' ' ' VAL . 1.1 m 12.11 51.34 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.133 . . . . 0.0 109.336 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.807 ' N ' ' O ' ' B' ' 38' ' ' ARG . 15.9 tm0? 175.68 156.65 0.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.314 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.537 ' C ' ' H ' ' B' ' 43' ' ' HIS . . . 64.67 -140.05 42.04 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 110.993 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -53.36 -7.55 0.1 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 0.772 . . . . 0.0 110.32 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.971 ' C ' ' HD2' ' B' ' 45' ' ' PRO . 27.8 t60 -132.71 66.4 1.56 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.491 1.119 . . . . 0.0 109.615 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.979 ' N ' ' CD ' ' B' ' 45' ' ' PRO . . . -82.09 -10.0 84.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.507 1.129 . . . . 0.0 111.036 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . 0.979 ' CD ' ' N ' ' B' ' 44' ' ' GLY . 18.2 Cg_endo -75.05 129.43 12.28 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.462 1.769 . . . . 0.0 110.962 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -94.49 154.29 17.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.52 1.138 . . . . 0.0 111.047 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.43 ' O ' HG23 ' B' ' 51' ' ' ILE . 0.0 OUTLIER 178.23 -23.22 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.924 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.658 ' OG ' ' CE1' ' B' ' 52' ' ' TYR . 1.4 p -38.78 -35.99 0.24 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.02 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -38.79 -53.76 1.65 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -83.17 -62.92 1.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.52 1.138 . . . . 0.0 110.246 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.897 ' O ' ' N ' ' B' ' 55' ' ' ALA . 0.0 OUTLIER -41.35 -35.99 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.549 1.155 . . . . 0.0 109.232 -179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.658 ' CE1' ' OG ' ' B' ' 48' ' ' SER . 0.6 OUTLIER -32.64 -46.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -81.15 -39.7 25.13 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 110.271 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 1.073 ' O ' ' O ' ' B' ' 55' ' ' ALA . 4.8 mm -77.57 -45.28 29.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.483 1.114 . . . . 0.0 109.304 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 1.073 ' O ' ' O ' ' B' ' 54' ' ' ILE . . . 12.16 -155.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.584 1.178 . . . . 0.0 109.268 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.673 ' HA ' HG23 ' B' ' 69' ' ' THR . 0.0 OUTLIER 168.78 119.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.537 1.148 . . . . 0.0 109.275 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.904 ' O ' HD23 ' B' ' 58' ' ' LEU . 1.0 OUTLIER -25.27 -45.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 0.936 ' HB2' ' C ' ' B' ' 59' ' ' PRO . 0.9 OUTLIER -158.21 -54.77 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.936 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.2 Cg_endo -74.99 160.57 96.35 Favored 'Cis proline' 0 C--N 1.359 1.099 0 C-N-CA 121.003 -2.499 . . . . 0.0 111.0 0.021 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.741 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 1.3 m120 151.61 -59.56 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 109.355 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 1.131 HG21 ' CD1' ' A' ' 21' ' ' TRP . 3.2 t -22.61 -86.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.322 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.741 ' N ' HG12 ' B' ' 61' ' ' VAL . 80.5 m -115.32 -32.42 5.64 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 108.341 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.465 ' H ' ' ND2' ' B' ' 57' ' ' ASN . 32.9 m-20 64.87 30.72 11.97 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.423 1.077 . . . . 0.0 109.325 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.62 ' HE3' ' CE1' ' B' ' 19' ' ' TYR . 28.5 mtm -114.62 94.1 4.63 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.55 1.156 . . . . 0.0 110.947 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.38 4.49 20.62 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.395 1.059 . . . . 0.0 109.212 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . . . . . . . . . 3.4 pt20 -63.31 -26.0 68.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.296 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.59 HG22 ' N ' ' B' ' 68' ' ' GLY . 1.0 OUTLIER -116.71 -60.02 2.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.561 1.163 . . . . 0.0 109.331 179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.59 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 175.63 149.32 7.33 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.496 1.123 . . . . 0.0 110.977 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.673 HG23 ' HA ' ' B' ' 56' ' ' LYS . 1.4 t -143.49 123.54 13.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 0.752 . . . . 0.0 110.337 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.957 ' HB2' HD23 ' B' ' 30' ' ' LEU . 61.2 m -161.02 163.39 20.76 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.453 1.095 . . . . 0.0 108.348 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 0.764 ' C ' ' HB3' ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.04 130.88 13.64 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.547 1.814 . . . . 0.0 111.016 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 0.908 ' HD1' ' CD1' ' A' ' 21' ' ' TRP . 31.9 m-85 -77.42 -152.95 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.993 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 0.882 ' N ' ' HB1' ' B' ' 33' ' ' ALA . 7.9 tt -115.74 175.32 2.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.551 1.157 . . . . 0.0 109.36 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.512 ' N ' HG23 ' B' ' 37' ' ' VAL . . . -104.1 -157.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.131 . . . . 0.0 109.373 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.631 ' HB ' ' NH1' ' A' ' 16' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLN . . . . . 0.4 ' N ' ' HD3' ' A' ' 2' ' ' PRO . 2.7 tp60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.378 -0.23 . . . . 0.0 110.378 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PRO . . . . . 0.4 ' HD3' ' N ' ' A' ' 1' ' ' GLN . 18.3 Cg_endo -74.93 129.19 12.17 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.437 1.756 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.66 -40.32 80.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 110.342 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -42.88 -40.48 2.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.293 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -57.45 -69.06 0.18 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.473 1.108 . . . . 0.0 108.249 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLN . . . . . 0.497 ' HA ' ' NE2' ' B' ' 32' ' ' GLN . 0.0 OUTLIER -46.18 -45.2 16.62 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.359 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.9 ttt85 -61.44 -59.25 5.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.572 1.17 . . . . 0.0 110.306 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.884 ' OE2' ' C ' ' B' ' 75' ' ' ILE . 4.7 mm-40 -40.34 -48.4 2.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.564 1.165 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -46.79 -61.86 1.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.476 1.11 . . . . 0.0 111.029 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.56 ' HA ' ' CD2' ' A' ' 14' ' ' HIS . 1.1 tt0 -68.28 -37.07 80.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.287 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 0.3 OUTLIER -36.56 -38.49 0.16 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.576 1.173 . . . . 0.0 110.279 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.58 -92.57 0.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.444 1.09 . . . . 0.0 110.252 -179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.702 ' O ' ' C ' ' A' ' 14' ' ' HIS . 0.5 OUTLIER 176.88 64.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.702 ' C ' ' O ' ' A' ' 13' ' ' GLN . 24.0 m170 1.3 92.56 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 0.0 109.574 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.191 HD21 ' CD2' ' B' ' 72' ' ' PHE . 0.0 OUTLIER -44.2 161.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 109.246 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.77 ' HA ' ' HB3' ' A' ' 19' ' ' GLN . 34.1 mtm180 -109.93 -44.05 3.88 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.262 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.43 ' C ' ' O ' ' A' ' 16' ' ' ARG . . . -38.16 -36.87 0.24 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.539 1.149 . . . . 0.0 109.259 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . 0.681 ' SG ' ' CE1' ' B' ' 72' ' ' PHE . 99.4 m -84.04 -38.95 20.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.561 1.163 . . . . 0.0 108.291 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.778 ' HA ' HD12 ' A' ' 22' ' ' ILE . 2.3 pt20 -36.1 -37.27 0.11 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 110.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -41.66 -53.48 3.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.348 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.9 ' CZ2' HD23 ' B' ' 30' ' ' LEU . 0.0 OUTLIER -81.38 -51.2 8.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.557 1.161 . . . . 0.0 108.038 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.778 HD12 ' HA ' ' A' ' 19' ' ' GLN . 11.4 mt -35.37 -47.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.8 ttt180 -81.73 -56.87 3.72 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 110.275 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 5.5 tm0? -45.51 -39.85 7.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 0.0 110.291 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.533 ' OE1' HD11 ' B' ' 54' ' ' ILE . 0.0 OUTLIER -39.81 -50.28 2.39 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.274 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.533 HD11 HG12 ' B' ' 39' ' ' VAL . 13.3 mt -43.57 -47.9 7.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -173.12 156.0 3.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -128.85 168.99 20.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 0.0 110.952 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 40.1 t -176.11 82.42 0.28 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.016 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 147.55 34.05 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.475 1.776 . . . . 0.0 110.964 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.426 1.079 . . . . 0.0 110.959 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLN . . . . . 0.529 ' NE2' ' H3 ' ' B' ' 1' ' ' GLN . 2.5 pm0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 28.1 p -97.69 113.64 25.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 110.102 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLY . . . . . . . . . . . . . . . 145.98 -151.79 23.98 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.52 1.138 . . . . 0.0 111.041 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -75.01 155.02 42.83 Favored 'Trans proline' 0 C--N 1.361 1.215 0 O-C-N 124.499 1.789 . . . . 0.0 111.075 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLN . . . . . . . . . . . . . 78.3 mm-40 -42.77 145.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.107 . . . . 0.0 110.286 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' GLN . . . . . . . . . . . . . 5.2 mt-30 -67.72 131.48 45.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.81 -77.37 0.29 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.517 1.136 . . . . 0.0 111.033 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 143.76 29.45 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.543 1.812 . . . . 0.0 111.037 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -123.93 175.96 6.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 108.001 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' LEU . . . . . 0.562 HD13 ' N ' ' B' ' 10' ' ' LEU . 0.2 OUTLIER -79.43 -40.54 29.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.299 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt85 -58.03 -65.92 0.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -47.37 14.94 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 110.293 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -47.37 -45.96 25.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 0.0 110.209 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' CYS . . . . . 0.56 ' O ' ' HB3' ' B' ' 17' ' ' GLU . 0.1 OUTLIER -48.52 -52.15 23.94 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.453 1.096 . . . . 0.0 108.321 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' CYS . . . . . 0.53 ' SG ' ' CD1' ' B' ' 19' ' ' TYR . 1.3 t -62.91 -56.74 14.61 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.605 1.191 . . . . 0.0 108.358 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.415 ' C ' ' O ' ' B' ' 15' ' ' CYS . 0.9 OUTLIER -39.36 -36.68 0.37 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.12 . . . . 0.0 109.389 179.894 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . 0.758 ' HG3' ' N ' ' B' ' 18' ' ' LEU . 0.0 OUTLIER -50.6 -47.48 58.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' LEU . . . . . 0.928 HD22 ' O ' ' B' ' 71' ' ' PRO . 0.1 OUTLIER -83.84 -39.5 19.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' TYR . . . . . 0.53 ' CD1' ' SG ' ' B' ' 15' ' ' CYS . 0.2 OUTLIER -55.95 -70.07 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 111.071 179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -48.39 -33.78 9.72 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 110.288 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.562 ' HB2' ' O ' ' B' ' 17' ' ' GLU . 0.9 OUTLIER -74.65 -143.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.494 1.122 . . . . 0.0 110.293 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' ASP . . . . . 0.706 ' C ' ' H ' ' B' ' 24' ' ' VAL . 0.0 OUTLIER -130.86 100.06 5.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.355 179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLN . . . . . 0.774 ' HB3' HD11 ' B' ' 18' ' ' LEU . 0.5 OUTLIER -51.74 -0.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.706 ' H ' ' C ' ' B' ' 22' ' ' ASP . 0.3 OUTLIER -24.03 -41.02 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.299 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' CYS . . . . . 1.25 ' O ' HG23 ' B' ' 26' ' ' VAL . 0.3 OUTLIER -47.51 -94.1 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 0.0 108.356 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' VAL . . . . . 1.25 HG23 ' O ' ' B' ' 25' ' ' CYS . 2.8 t 160.86 -91.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' CYS . . . . . 1.335 ' H ' ' CD ' ' B' ' 28' ' ' PRO . 0.0 OUTLIER -164.25 5.03 0.0 OUTLIER Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 108.287 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' PRO . . . . . 1.335 ' CD ' ' H ' ' B' ' 27' ' ' CYS . 18.4 Cg_endo -74.98 -15.98 20.51 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.513 1.796 . . . . 0.0 111.043 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' THR . . . . . 1.001 HG21 HG22 ' B' ' 73' ' ' ILE . 0.2 OUTLIER -54.34 -41.05 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.117 . . . . 0.0 110.359 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 1.089 HD12 ' CG ' ' B' ' 71' ' ' PRO . 0.2 OUTLIER -37.75 -62.3 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.609 1.193 . . . . 0.0 109.296 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.749 ' HA ' ' CE2' ' B' ' 52' ' ' TYR . 19.9 mttt -46.59 -55.99 6.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.296 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.572 ' HA ' ' HB3' ' B' ' 35' ' ' LYS . 0.0 OUTLIER -48.76 -36.02 15.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.452 1.095 . . . . 0.0 110.29 -179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ALA . . . . . 0.706 ' HB3' ' O ' ' B' ' 30' ' ' LEU . . . -52.23 -73.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' ALA . . . . . 0.648 ' HB3' ' OH ' ' B' ' 52' ' ' TYR . . . -65.23 -39.13 92.34 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.581 ' O ' HG22 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -47.34 -52.27 16.98 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 -179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' SER . . . . . 0.443 ' O ' ' C ' ' B' ' 37' ' ' VAL . 93.6 p -85.34 -49.68 7.95 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.445 1.091 . . . . 0.0 109.989 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' VAL . . . . . 0.857 HG12 ' N ' ' B' ' 38' ' ' ARG . 2.3 t -37.24 -87.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.255 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ARG . . . . . 0.857 ' N ' HG12 ' B' ' 37' ' ' VAL . 0.1 OUTLIER -96.19 -104.8 0.16 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.508 1.13 . . . . 0.0 110.233 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.718 ' C ' ' O ' ' B' ' 38' ' ' ARG . 0.6 OUTLIER 2.68 105.96 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLN . . . . . 0.556 ' N ' ' O ' ' B' ' 43' ' ' HIS . 26.3 tt0 178.16 160.32 0.55 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.467 1.105 . . . . 0.0 110.268 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' GLY . . . . . 0.506 ' N ' ' CG ' ' B' ' 40' ' ' GLN . . . 52.25 -103.77 0.14 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.49 1.119 . . . . 0.0 110.967 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.94 -7.69 24.05 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.486 0.756 . . . . 0.0 110.351 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' HIS . . . . . 0.556 ' O ' ' N ' ' B' ' 40' ' ' GLN . 4.9 t60 -143.21 55.99 1.37 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.449 1.093 . . . . 0.0 109.618 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.489 ' O ' ' O ' ' B' ' 43' ' ' HIS . . . -54.23 -117.54 0.01 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.582 1.176 . . . . 0.0 111.046 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 129.37 12.24 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.519 1.8 . . . . 0.0 111.046 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -122.11 175.65 6.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 111.067 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' GLN . . . . . 0.624 ' O ' HG22 ' B' ' 51' ' ' ILE . 53.9 mm-40 -78.23 7.35 6.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.439 1.087 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' SER . . . . . 0.9 ' HA ' HG23 ' B' ' 51' ' ' ILE . 0.1 OUTLIER -65.39 -33.61 76.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.039 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.451 ' O ' ' HD3' ' B' ' 31' ' ' LYS . 0.7 OUTLIER -36.55 -47.76 0.65 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.403 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ARG . . . . . 0.451 ' O ' ' C ' ' B' ' 51' ' ' ILE . 0.0 OUTLIER -82.92 -72.51 0.45 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 110.284 -179.944 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ILE . . . . . 0.906 HD13 ' N ' ' B' ' 52' ' ' TYR . 0.0 OUTLIER -37.0 -37.32 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.47 1.106 . . . . 0.0 109.278 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' TYR . . . . . 0.906 ' N ' HD13 ' B' ' 51' ' ' ILE . 0.2 OUTLIER -35.37 -53.5 0.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.418 1.074 . . . . 0.0 111.005 179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' B' ' 54' ' ' ILE . 0.8 OUTLIER -38.26 -35.85 0.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.258 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' ILE . . . . . 0.698 HD12 ' N ' ' B' ' 55' ' ' ALA . 2.0 pp -36.8 -70.1 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ALA . . . . . 0.698 ' N ' HD12 ' B' ' 54' ' ' ILE . . . -68.72 -165.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.509 ' HD3' ' O ' ' B' ' 54' ' ' ILE . 0.0 OUTLIER 179.76 -87.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.113 . . . . 0.0 109.301 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ASN . . . . . 0.835 ' O ' ' HG ' ' B' ' 58' ' ' LEU . 0.0 OUTLIER -66.65 -41.32 88.4 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.357 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' LEU . . . . . 1.0 ' HG ' HG23 ' B' ' 61' ' ' VAL . 3.0 mt 169.78 -51.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 0.0 109.317 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' PRO . . . . . 0.898 ' C ' ' HB2' ' B' ' 58' ' ' LEU . 18.5 Cg_endo -74.95 152.87 98.76 Favored 'Cis proline' 0 C--N 1.36 1.168 0 C-N-CA 121.01 -2.496 . . . . 0.0 110.987 -0.022 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' ASN . . . . . 0.809 ' N ' ' HB2' ' B' ' 58' ' ' LEU . 6.7 m-20 153.32 -62.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.292 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' VAL . . . . . 1.0 HG23 ' HG ' ' B' ' 58' ' ' LEU . 2.8 t -14.77 -86.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.587 1.179 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' CYS . . . . . 0.749 ' N ' HG12 ' B' ' 61' ' ' VAL . 89.5 m -82.37 -74.81 0.33 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.454 1.096 . . . . 0.0 108.274 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' ASN . . . . . 0.463 ' N ' ' OD1' ' B' ' 57' ' ' ASN . 0.9 OUTLIER 77.2 22.21 1.01 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.552 1.158 . . . . 0.0 109.291 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' MET . . . . . 0.556 ' C ' ' H ' ' B' ' 66' ' ' GLN . 20.3 mtm -100.26 92.66 5.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' LYS . . . . . . . . . . . . . 3.7 mtmt -59.38 -2.63 0.33 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 109.321 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' GLN . . . . . 0.556 ' H ' ' C ' ' B' ' 64' ' ' MET . 0.7 OUTLIER -79.72 -49.68 11.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.255 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' ILE . . . . . 0.614 HG22 ' N ' ' B' ' 68' ' ' GLY . 0.1 OUTLIER -99.42 -61.76 2.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 109.338 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLY . . . . . 0.614 ' N ' HG22 ' B' ' 67' ' ' ILE . . . 143.43 177.86 18.73 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.604 1.19 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' THR . . . . . 0.67 ' OG1' ' N ' ' B' ' 57' ' ' ASN . 0.8 OUTLIER -100.96 162.01 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 0.754 . . . . 0.0 110.424 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' B' ' 26' ' ' VAL . 0.1 OUTLIER -178.9 161.25 1.04 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 108.274 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PRO . . . . . 1.089 ' CG ' HD12 ' B' ' 30' ' ' LEU . 18.1 Cg_endo -75.12 165.09 31.85 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.478 1.778 . . . . 0.0 110.959 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' PHE . . . . . 1.191 ' CD2' HD21 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -81.42 152.49 27.39 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 -179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' ILE . . . . . 1.001 HG22 HG21 ' B' ' 29' ' ' THR . 2.0 pp -135.88 -158.1 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' ALA . . . . . 0.793 ' N ' HD12 ' B' ' 73' ' ' ILE . . . -152.53 177.19 10.9 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' ILE . . . . . 0.884 ' C ' ' OE2' ' A' ' 8' ' ' GLU . 33.1 mt . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.155 . . . . 0.0 109.263 -179.925 . . . . . . . . 1 1 . 1 stop_ save_