data_1g92_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 1g92 _Structure_validation_residue.Date_analyzed 2016-10-06 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' ' ' PHE . . . . . 1.0 ' HA ' HD21 ' A' ' 5' ' ' LEU . 14.5 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.97 ' CD1' ' OE1' ' A' ' 18' ' ' GLN . 38.4 tp -20.69 -58.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.979 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.2 Cg_endo -75.05 -55.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.767 . . . . 0.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.852 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 9.1 mp -61.2 -35.64 77.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 1.0 HD21 ' HA ' ' A' ' 1' ' ' PHE . 3.3 mm? -62.2 -56.27 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 25.0 pt -63.4 -37.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.53 -52.12 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.32 -41.5 79.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.949 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -92.81 23.53 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.67 64.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.5 -68.83 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 mtm -132.74 26.87 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.5 m -151.49 136.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.01 174.8 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HB3' HG23 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.94 64.38 5.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLN . 21.2 m -63.65 178.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt 70.59 -52.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.97 ' OE1' ' CD1' ' A' ' 2' ' ' LEU . 64.6 mt-30 -90.9 -45.02 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . -56.28 -53.63 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 pp -60.84 -35.36 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -67.88 -46.03 72.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.602 -178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.61 -42.28 95.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.492 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 54.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 170.59 -51.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -178.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.3 -30.56 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -46.9 86.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 1.32 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 21.1 pt -61.08 -36.19 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.28 -39.65 51.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.055 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -94.46 17.02 13.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.01 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.588 ' CD2' ' HA ' ' A' ' 15' ' ' PRO . 1.2 mm? -123.53 21.7 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.4 mtp -96.61 -53.6 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.545 ' OG1' ' HD2' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -80.53 167.6 31.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' OG1' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 179.15 6.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.668 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.97 56.7 4.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.906 ' O ' HD13 ' A' ' 20' ' ' ILE . 13.3 m -60.53 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 1.32 ' CD1' ' HA ' ' A' ' 6' ' ' ILE . 26.5 pt -50.87 -25.68 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 40.9 mt-30 -103.36 -38.11 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -58.09 -53.06 62.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.906 HD13 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.5 -30.3 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -178.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.4 OUTLIER -66.08 -47.61 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -177.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -44.2 69.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 1.1 ' CA ' ' HB2' ' A' ' 5' ' ' LEU . 28.6 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 1.06 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 3.3 tm? 4.91 -72.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 1.06 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.1 Cg_endo -75.02 -63.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 1' ' ' PHE . 9.3 mp -67.05 -30.62 70.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 1.1 ' HB2' ' CA ' ' A' ' 1' ' ' PHE . 8.8 tp -64.88 -51.08 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.642 HG12 ' O ' ' A' ' 2' ' ' LEU . 11.6 pt -67.16 -35.65 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.18 -51.71 68.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.9 -36.19 65.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.627 ' OG ' ' O ' ' A' ' 13' ' ' THR . 23.2 t -92.91 20.07 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.52 156.68 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 58.33 15.42 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.0 mtp -148.09 -74.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.627 ' O ' ' OG ' ' A' ' 9' ' ' SER . 56.6 m -153.07 133.81 7.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.0 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 61.13 5.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 20' ' ' ILE . 18.8 m -57.84 -49.58 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.407 HG13 ' HG3' ' A' ' 18' ' ' GLN . 24.7 pt -49.5 -28.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 66.3 mt-30 -94.85 -43.37 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.23 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 pp -64.29 -35.63 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.6 -46.92 74.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.61 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.93 -48.46 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.896 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.2 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.944 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.4 tp -111.74 -66.45 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.944 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.99 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.896 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 95.7 mt -57.9 -33.46 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 1.0 OUTLIER -70.54 -54.3 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 2' ' ' LEU . 35.2 pt -59.69 -37.93 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.58 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.84 ' O ' ' HB2' ' A' ' 12' ' ' MET . . . -56.49 -39.61 84.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.888 ' OG ' ' O ' ' A' ' 13' ' ' THR . 31.4 t -88.56 21.41 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.051 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -107.68 -44.45 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 26.89 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' MET . . . . . 0.84 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 66.7 mtp -141.52 -61.05 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.888 ' O ' ' OG ' ' A' ' 9' ' ' SER . 39.1 m -148.59 134.67 9.86 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.0 Cg_endo -75.06 167.96 25.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.619 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 60.83 5.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.816 ' O ' HD12 ' A' ' 20' ' ' ILE . 16.3 m -57.4 -48.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.61 ' HA ' HD11 ' A' ' 20' ' ' ILE . 21.2 pt -53.92 -24.53 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.619 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 70.6 mt-30 -99.11 -38.9 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.79 -52.47 65.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -70.37 -26.48 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -178.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.429 ' HB2' ' O ' ' A' ' 17' ' ' ILE . 3.3 t60 -70.45 -45.53 65.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -33.6 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.278 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 1.079 ' HA ' HD21 ' A' ' 5' ' ' LEU . 14.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.644 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.1 mt -18.38 -60.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.922 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.3 Cg_endo -75.0 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.797 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.3 mm? -62.7 -35.04 78.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -177.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 1.079 HD21 ' HA ' ' A' ' 1' ' ' PHE . 3.1 mm? -63.39 -56.01 19.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 1.594 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 28.6 pt -59.85 -39.3 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.7 -53.46 57.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -39.16 83.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.845 ' OG ' HG23 ' A' ' 13' ' ' THR . 8.2 t -91.27 29.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -122.46 -45.93 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.83 -60.76 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 50.7 mtm -121.39 35.62 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.845 HG23 ' OG ' ' A' ' 9' ' ' SER . 36.2 m -153.74 143.05 14.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.714 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.97 57.56 4.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.803 . . . . 0.0 111.014 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.895 ' O ' HD11 ' A' ' 20' ' ' ILE . 19.0 m -57.34 -49.04 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 1.594 ' CD1' ' CG2' ' A' ' 6' ' ' ILE . 28.5 pt -51.29 -28.22 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 59.7 mt-30 -101.57 -36.01 8.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -57.3 -54.7 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.895 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -69.28 -29.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . 0.481 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 0.7 OUTLIER -65.83 -44.8 84.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.596 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.01 -43.12 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.641 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.611 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 1.039 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -101.03 -67.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 13.5 tp 86.11 29.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.93 -49.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 1.039 HG12 ' O ' ' A' ' 2' ' ' LEU . 20.3 pt -59.94 -32.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.11 -51.03 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.56 -38.98 73.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -94.89 22.51 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -109.35 37.69 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.39 -51.04 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.1 mtm -119.78 -59.58 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 m -64.68 133.25 95.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.09 176.4 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 1.088 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -74.95 59.25 5.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.892 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 18.9 m -56.57 -46.9 82.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 1.036 HD12 HG23 ' A' ' 6' ' ' ILE . 20.8 pt -47.09 -29.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 1.088 ' CG ' ' HB2' ' A' ' 15' ' ' PRO . 19.3 pt20 -113.78 -28.34 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.892 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -59.05 -50.48 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.892 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -72.2 -28.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.2 t60 -67.94 -43.21 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.606 -178.217 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -47.22 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.135 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.7 OUTLIER 176.69 -58.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 -44.76 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -36.1 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.0 -54.28 47.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 18.8 pt -63.7 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.3 -52.31 65.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.65 60.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 t -94.89 23.62 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -111.21 75.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.69 -59.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 78.4 mtp -129.93 -55.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -145.27 133.86 10.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.21 14.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 59.69 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.677 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 16.4 m -56.2 -46.88 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.52 -37.88 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -95.81 -35.73 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 16' ' ' VAL . . . -56.76 -48.94 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 pp -68.39 -35.24 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -63.05 -46.34 87.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -178.465 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -41.16 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.401 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 1.004 ' CE2' HD11 ' A' ' 4' ' ' LEU . 2.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.675 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -104.5 -67.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.882 ' HA ' HG12 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 1.004 HD11 ' CE2' ' A' ' 1' ' ' PHE . 10.9 mp -65.14 -15.4 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.33 -45.39 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.882 HG12 ' HA ' ' A' ' 3' ' ' PRO . 33.3 pt -58.87 -35.86 58.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 3' ' ' PRO . 91.5 mt -58.72 -43.31 90.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.92 -49.44 78.49 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 13' ' ' THR . 8.9 t -82.46 -4.61 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.978 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.89 -36.09 71.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.7 15.84 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 79.7 mtp -133.65 -60.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.955 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.7 m -152.36 123.21 3.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.836 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -74.97 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 14' ' ' PRO . 18.3 Cg_endo -75.03 57.87 4.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 20' ' ' ILE . 9.8 p -64.5 -48.73 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' HG3' ' A' ' 18' ' ' GLN . 34.9 pt -51.94 -29.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' ILE . 65.4 mt-30 -91.99 -39.73 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.12 66.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.7 pp -64.19 -34.06 66.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -65.87 -47.66 74.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.53 -49.31 78.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 0.758 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.8 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.97 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.0 tp -106.68 -69.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.97 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.97 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.99 -30.75 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -78.68 -55.58 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 0.766 ' CG1' ' O ' ' A' ' 2' ' ' LEU . 1.2 pp -60.28 -38.86 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.08 -48.16 71.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.25 -40.0 73.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -94.52 24.73 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -110.89 103.34 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 tp -160.38 -66.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 88.6 mtp -108.83 -49.91 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 56.6 m -148.84 134.79 9.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.379 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 175.37 11.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.26 5.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' ILE . 13.8 m -55.6 -46.21 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -47.78 -36.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -92.59 -39.86 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 16' ' ' VAL . . . -55.99 -50.15 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 pp -65.58 -35.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 32.0 t60 -63.88 -49.79 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.06 -37.71 88.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' PHE . . . . . 1.07 ' HA ' HD23 ' A' ' 5' ' ' LEU . 15.7 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.484 0.183 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.2 mt -17.09 -61.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . 0.907 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.5 Cg_endo -74.99 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.708 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.2 mm? -60.41 -34.62 74.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 1.07 HD23 ' HA ' ' A' ' 1' ' ' PHE . 2.7 mm? -63.37 -57.01 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . 1.166 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 26.0 pt -62.24 -39.06 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 10' ' ' LEU . 6.5 tt -64.36 -50.82 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.94 -40.84 74.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 t -95.39 24.73 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.052 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.969 HD23 ' HB3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.09 56.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -110.86 -54.85 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.5 mtp -85.77 -54.56 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.1 m -148.61 136.92 11.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' PRO . . . . . 0.969 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 1.166 ' HG3' ' CB ' ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 60.67 5.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.568 1.825 . . . . 0.0 110.981 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.768 ' O ' HD11 ' A' ' 20' ' ' ILE . 16.7 m -57.95 -47.71 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -51.39 -25.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 77.6 mm-40 -100.74 -35.61 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.77 -53.69 54.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.768 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.75 -28.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -177.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 14.4 t-80 -65.14 -49.71 68.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.618 -177.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -39.26 82.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 1.0 ' HA ' HD21 ' A' ' 5' ' ' LEU . 14.5 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.97 ' CD1' ' OE1' ' A' ' 18' ' ' GLN . 38.4 tp -20.69 -58.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.979 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.2 Cg_endo -75.05 -55.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.767 . . . . 0.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.852 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 9.1 mp -61.2 -35.64 77.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 1.0 HD21 ' HA ' ' A' ' 1' ' ' PHE . 3.3 mm? -62.2 -56.27 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 25.0 pt -63.4 -37.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.53 -52.12 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.32 -41.5 79.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.949 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -92.81 23.53 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.67 64.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.5 -68.83 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 mtm -132.74 26.87 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.409 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.5 m -151.49 136.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.01 174.8 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.493 ' HB3' HG23 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.94 64.38 5.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLN . 21.2 m -63.65 178.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 54.5 mt 70.59 -52.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.97 ' OE1' ' CD1' ' A' ' 2' ' ' LEU . 64.6 mt-30 -90.9 -45.02 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . -56.28 -53.63 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 2.8 pp -60.84 -35.36 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -178.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.439 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 1.9 t-80 -67.88 -46.03 72.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.602 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.885 ' OD1' ' NH2' ' A' ' 25' ' ' ARG . 3.5 m-20 -64.61 -42.28 95.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.17 -24.01 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 2.1 mm100 -64.93 -34.19 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.885 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.0 mtm180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.463 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 54.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.62 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 170.59 -51.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -178.818 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.3 -30.56 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.6 -46.9 86.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.39 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 1.32 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 21.1 pt -61.08 -36.19 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.28 -39.65 51.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.055 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -94.46 17.02 13.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.01 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.588 ' CD2' ' HA ' ' A' ' 15' ' ' PRO . 1.2 mm? -123.53 21.7 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.4 mtp -96.61 -53.6 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.545 ' OG1' ' HD2' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -80.53 167.6 31.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.572 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' OG1' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 179.15 6.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.668 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.97 56.7 4.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.906 ' O ' HD13 ' A' ' 20' ' ' ILE . 13.3 m -60.53 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 1.32 ' CD1' ' HA ' ' A' ' 6' ' ' ILE . 26.5 pt -50.87 -25.68 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.411 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 40.9 mt-30 -103.36 -38.11 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -58.09 -53.06 62.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.906 HD13 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.5 -30.3 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -178.609 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -66.08 -47.61 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -177.684 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -44.2 69.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.81 89.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -72.18 -48.19 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 21' ' ' HIS . 8.0 mtm180 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 1.1 ' CA ' ' HB2' ' A' ' 5' ' ' LEU . 28.6 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 1.06 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 3.3 tm? 4.91 -72.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 1.06 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.1 Cg_endo -75.02 -63.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 1' ' ' PHE . 9.3 mp -67.05 -30.62 70.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 1.1 ' HB2' ' CA ' ' A' ' 1' ' ' PHE . 8.8 tp -64.88 -51.08 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.642 HG12 ' O ' ' A' ' 2' ' ' LEU . 11.6 pt -67.16 -35.65 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.18 -51.71 68.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.9 -36.19 65.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.627 ' OG ' ' O ' ' A' ' 13' ' ' THR . 23.2 t -92.91 20.07 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -117.52 156.68 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.59 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.3 mm? 58.33 15.42 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 62.0 mtp -148.09 -74.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.307 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.627 ' O ' ' OG ' ' A' ' 9' ' ' SER . 56.6 m -153.07 133.81 7.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.0 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 61.13 5.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 20' ' ' ILE . 18.8 m -57.84 -49.58 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.407 HG13 ' HG3' ' A' ' 18' ' ' GLN . 24.7 pt -49.5 -28.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 66.3 mt-30 -94.85 -43.37 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.23 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 pp -64.29 -35.63 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -66.6 -46.92 74.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.61 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.909 ' HA ' ' HG3' ' A' ' 25' ' ' ARG . 1.4 t70 -59.93 -48.46 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.19 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -96.52 25.47 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.909 ' HG3' ' HA ' ' A' ' 22' ' ' ASP . 59.3 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.896 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.2 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.944 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.4 tp -111.74 -66.45 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.944 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.99 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.896 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 95.7 mt -57.9 -33.46 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.567 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 1.0 OUTLIER -70.54 -54.3 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 2' ' ' LEU . 35.2 pt -59.69 -37.93 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.58 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.84 ' O ' ' HB2' ' A' ' 12' ' ' MET . . . -56.49 -39.61 84.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.888 ' OG ' ' O ' ' A' ' 13' ' ' THR . 31.4 t -88.56 21.41 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.051 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -107.68 -44.45 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 26.89 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' MET . . . . . 0.84 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 66.7 mtp -141.52 -61.05 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.888 ' O ' ' OG ' ' A' ' 9' ' ' SER . 39.1 m -148.59 134.67 9.86 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.41 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.0 Cg_endo -75.06 167.96 25.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.619 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 60.83 5.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.816 ' O ' HD12 ' A' ' 20' ' ' ILE . 16.3 m -57.4 -48.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.61 ' HA ' HD11 ' A' ' 20' ' ' ILE . 21.2 pt -53.92 -24.53 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.619 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 70.6 mt-30 -99.11 -38.9 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.79 -52.47 65.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.816 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -70.37 -26.48 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -178.497 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 1.207 ' O ' ' N ' ' A' ' 25' ' ' ARG . 3.3 t60 -70.45 -45.53 65.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -59.02 -33.6 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -41.65 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.528 ' HG2' ' HA ' ' A' ' 21' ' ' HIS . 2.1 pt20 -97.45 -27.69 14.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 1.207 ' N ' ' O ' ' A' ' 21' ' ' HIS . 36.7 mtt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 1.079 ' HA ' HD21 ' A' ' 5' ' ' LEU . 14.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.644 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.1 mt -18.38 -60.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.922 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.3 Cg_endo -75.0 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.797 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.3 mm? -62.7 -35.04 78.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -177.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 1.079 HD21 ' HA ' ' A' ' 1' ' ' PHE . 3.1 mm? -63.39 -56.01 19.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 1.594 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 28.6 pt -59.85 -39.3 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.7 -53.46 57.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -39.16 83.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.845 ' OG ' HG23 ' A' ' 13' ' ' THR . 8.2 t -91.27 29.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.551 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -122.46 -45.93 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.83 -60.76 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 50.7 mtm -121.39 35.62 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.845 HG23 ' OG ' ' A' ' 9' ' ' SER . 36.2 m -153.74 143.05 14.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.45 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.714 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.97 57.56 4.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.803 . . . . 0.0 111.014 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.895 ' O ' HD11 ' A' ' 20' ' ' ILE . 19.0 m -57.34 -49.04 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 1.594 ' CD1' ' CG2' ' A' ' 6' ' ' ILE . 28.5 pt -51.29 -28.22 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.481 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 59.7 mt-30 -101.57 -36.01 8.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.714 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -57.3 -54.7 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.895 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -69.28 -29.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.655 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -65.83 -44.8 84.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.596 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 1.1 t70 -53.01 -43.12 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.99 -40.92 82.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -74.39 -48.19 29.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' ' O ' ' A' ' 21' ' ' HIS . 18.3 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.611 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 1.039 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -101.03 -67.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.647 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 13.5 tp 86.11 29.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.93 -49.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 1.039 HG12 ' O ' ' A' ' 2' ' ' LEU . 20.3 pt -59.94 -32.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.11 -51.03 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.56 -38.98 73.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -94.89 22.51 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -109.35 37.69 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.39 -51.04 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.1 mtm -119.78 -59.58 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.8 m -64.68 133.25 95.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.583 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.424 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.09 176.4 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 1.088 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -74.95 59.25 5.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.892 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 18.9 m -56.57 -46.9 82.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 1.036 HD12 HG23 ' A' ' 6' ' ' ILE . 20.8 pt -47.09 -29.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 1.088 ' CG ' ' HB2' ' A' ' 15' ' ' PRO . 19.3 pt20 -113.78 -28.34 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.892 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -59.05 -50.48 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.892 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -72.2 -28.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.495 ' O ' ' HB2' ' A' ' 24' ' ' GLN . 6.2 t60 -67.94 -43.21 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.606 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.906 ' CG ' ' NH2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -60.63 -47.22 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.51 -25.71 65.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 6.2 mm100 -61.84 -36.85 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.906 ' NH2' ' CG ' ' A' ' 22' ' ' ASP . 6.3 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.7 OUTLIER 176.69 -58.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 -44.76 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -73.29 -36.1 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -177.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.0 -54.28 47.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 18.8 pt -63.7 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.6 tt -61.3 -52.31 65.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.65 60.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 t -94.89 23.62 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -111.21 75.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.69 -59.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 78.4 mtp -129.93 -55.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -145.27 133.86 10.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.21 14.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 59.69 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.677 ' HA ' ' HB1' ' A' ' 19' ' ' ALA . 16.4 m -56.2 -46.88 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.52 -37.88 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -95.81 -35.73 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.677 ' HB1' ' HA ' ' A' ' 16' ' ' VAL . . . -56.76 -48.94 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 pp -68.39 -35.24 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.524 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.6 OUTLIER -63.05 -46.34 87.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -178.465 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -41.16 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -41.77 69.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -71.58 -48.61 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' HIS . 9.3 mtm180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 1.004 ' CE2' HD11 ' A' ' 4' ' ' LEU . 2.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.675 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -104.5 -67.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.882 ' HA ' HG12 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 1.004 HD11 ' CE2' ' A' ' 1' ' ' PHE . 10.9 mp -65.14 -15.4 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.33 -45.39 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.882 HG12 ' HA ' ' A' ' 3' ' ' PRO . 33.3 pt -58.87 -35.86 58.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.622 ' HG ' ' O ' ' A' ' 3' ' ' PRO . 91.5 mt -58.72 -43.31 90.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.92 -49.44 78.49 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 13' ' ' THR . 8.9 t -82.46 -4.61 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.978 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.566 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.89 -36.09 71.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.7 15.84 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 79.7 mtp -133.65 -60.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.955 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.7 m -152.36 123.21 3.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.836 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -74.97 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.836 ' HD2' ' HB2' ' A' ' 14' ' ' PRO . 18.3 Cg_endo -75.03 57.87 4.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.438 ' O ' HG13 ' A' ' 20' ' ' ILE . 9.8 p -64.5 -48.73 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' HG3' ' A' ' 18' ' ' GLN . 34.9 pt -51.94 -29.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' ILE . 65.4 mt-30 -91.99 -39.73 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.12 66.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.7 pp -64.19 -34.06 66.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -65.87 -47.66 74.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 -178.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -59.53 -49.31 78.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.041 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.7 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.89 -50.82 15.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 0.758 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.8 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.97 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.0 tp -106.68 -69.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.97 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.97 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.99 -30.75 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.452 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -78.68 -55.58 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 0.766 ' CG1' ' O ' ' A' ' 2' ' ' LEU . 1.2 pp -60.28 -38.86 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.08 -48.16 71.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.25 -40.0 73.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -94.52 24.73 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -110.89 103.34 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 tp -160.38 -66.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 88.6 mtp -108.83 -49.91 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 56.6 m -148.84 134.79 9.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.379 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 175.37 11.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.26 5.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' ILE . 13.8 m -55.6 -46.21 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -47.78 -36.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -92.59 -39.86 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.467 ' HB1' ' HA ' ' A' ' 16' ' ' VAL . . . -55.99 -50.15 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 pp -65.58 -35.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 0.993 ' CE1' ' NH2' ' A' ' 25' ' ' ARG . 32.0 t60 -63.88 -49.79 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.06 -37.71 88.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.48 78.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 20' ' ' ILE . 61.9 mt-30 -52.56 -38.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.993 ' NH2' ' CE1' ' A' ' 21' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PHE . . . . . 1.07 ' HA ' HD23 ' A' ' 5' ' ' LEU . 15.7 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.484 0.183 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.2 mt -17.09 -61.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . 0.907 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.5 Cg_endo -74.99 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.708 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.2 mm? -60.41 -34.62 74.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 1.07 HD23 ' HA ' ' A' ' 1' ' ' PHE . 2.7 mm? -63.37 -57.01 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . 1.166 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 26.0 pt -62.24 -39.06 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.428 ' HA ' ' HB2' ' A' ' 10' ' ' LEU . 6.5 tt -64.36 -50.82 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.94 -40.84 74.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 t -95.39 24.73 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.052 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.969 HD23 ' HB3' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.09 56.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -110.86 -54.85 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.5 mtp -85.77 -54.56 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.412 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.1 m -148.61 136.92 11.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PRO . . . . . 0.969 ' HB3' HD23 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 1.166 ' HG3' ' CB ' ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 60.67 5.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.568 1.825 . . . . 0.0 110.981 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.768 ' O ' HD11 ' A' ' 20' ' ' ILE . 16.7 m -57.95 -47.71 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -51.39 -25.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.528 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 77.6 mm-40 -100.74 -35.61 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.77 -53.69 54.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.768 HD11 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.75 -28.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -177.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' HIS . . . . . 1.262 ' CD2' ' NH2' ' A' ' 25' ' ' ARG . 14.4 t-80 -65.14 -49.71 68.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.618 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -39.26 82.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.67 -46.75 77.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLN . . . . . 0.434 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 32.6 mm-40 -52.49 -33.33 44.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 1.262 ' NH2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 1.092 ' HA ' HD23 ' A' ' 5' ' ' LEU . 14.5 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.97 ' CD1' ' OE1' ' A' ' 18' ' ' GLN . 38.4 tp -20.69 -58.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.979 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.2 Cg_endo -75.05 -55.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.767 . . . . 0.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.852 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 9.1 mp -61.2 -35.64 77.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.092 HD23 ' HA ' ' A' ' 1' ' ' PHE . 3.3 mm? -62.2 -56.27 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 25.0 pt -63.4 -37.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.53 -52.12 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.32 -41.5 79.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.949 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -92.81 23.53 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.67 64.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.5 -68.83 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 mtm -132.74 26.87 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.5 m -151.49 136.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.01 174.8 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.94 64.38 5.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLN . 21.2 m -63.65 178.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG13 HG23 ' A' ' 16' ' ' VAL . 54.5 mt 70.59 -52.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.97 ' OE1' ' CD1' ' A' ' 2' ' ' LEU . 64.6 mt-30 -90.9 -45.02 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . -56.28 -53.63 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.8 pp -60.84 -35.36 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.9 t-80 -67.88 -46.03 72.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.602 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.61 -42.28 95.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.492 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 54.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.618 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 170.59 -51.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -178.818 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.3 -30.56 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.6 -46.9 86.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.357 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 21.1 pt -61.08 -36.19 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.28 -39.65 51.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.055 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -94.46 17.02 13.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.01 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.84 HD21 ' HA ' ' A' ' 15' ' ' PRO . 1.2 mm? -123.53 21.7 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.4 mtp -96.61 -53.6 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.545 ' OG1' ' HD2' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -80.53 167.6 31.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.572 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' OG1' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 179.15 6.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.84 ' HA ' HD21 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.97 56.7 4.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 20' ' ' ILE . 13.3 m -60.53 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.357 ' CD1' ' HA ' ' A' ' 6' ' ' ILE . 26.5 pt -50.87 -25.68 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 17.4 mt-30 -103.36 -38.11 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -58.09 -53.06 62.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.5 -30.3 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -178.609 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.597 ' H ' HD13 ' A' ' 20' ' ' ILE . 0.4 OUTLIER -66.08 -47.61 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -177.684 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -44.2 69.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 1.099 ' CA ' ' HB2' ' A' ' 5' ' ' LEU . 28.6 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.059 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 3.3 tm? 4.91 -72.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 1.059 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.1 Cg_endo -75.02 -63.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 1' ' ' PHE . 9.3 mp -67.05 -30.62 70.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.099 ' HB2' ' CA ' ' A' ' 1' ' ' PHE . 8.8 tp -64.88 -51.08 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 2' ' ' LEU . 11.6 pt -67.16 -35.65 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.18 -51.71 68.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.9 -36.19 65.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.592 ' OG ' ' O ' ' A' ' 13' ' ' THR . 23.2 t -92.91 20.07 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.52 156.68 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.3 mm? 58.33 15.42 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.415 ' C ' ' HG1' ' A' ' 13' ' ' THR . 62.0 mtp -148.09 -74.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.592 ' O ' ' OG ' ' A' ' 9' ' ' SER . 56.6 m -153.07 133.81 7.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.0 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 61.13 5.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 20' ' ' ILE . 18.8 m -57.84 -49.58 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 16' ' ' VAL . 24.7 pt -49.5 -28.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 66.3 mt-30 -94.85 -43.37 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.23 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 pp -64.29 -35.63 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.3 t60 -66.6 -46.92 74.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.61 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.93 -48.46 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.896 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.2 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.944 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.4 tp -111.74 -66.45 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.944 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.99 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.896 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 95.7 mt -57.9 -33.46 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 1.0 OUTLIER -70.54 -54.3 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 2' ' ' LEU . 35.2 pt -59.69 -37.93 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.58 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.84 ' O ' ' HB2' ' A' ' 12' ' ' MET . . . -56.49 -39.61 84.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.888 ' OG ' ' O ' ' A' ' 13' ' ' THR . 31.4 t -88.56 21.41 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.051 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -107.68 -44.45 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 26.89 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.84 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 66.7 mtp -141.52 -61.05 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.888 ' O ' ' OG ' ' A' ' 9' ' ' SER . 39.1 m -148.59 134.67 9.86 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.0 Cg_endo -75.06 167.96 25.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.62 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 60.83 5.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.3 m -57.4 -48.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 21.2 pt -53.92 -24.53 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 70.6 mt-30 -99.11 -38.9 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.79 -52.47 65.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -70.37 -26.48 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -178.497 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.696 ' N ' HD13 ' A' ' 20' ' ' ILE . 3.3 t60 -70.45 -45.53 65.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -33.6 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.278 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 1.047 ' CA ' HD23 ' A' ' 5' ' ' LEU . 14.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.644 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.1 mt -18.38 -60.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.922 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.3 Cg_endo -75.0 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.3 mm? -62.7 -35.04 78.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -177.797 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.047 HD23 ' CA ' ' A' ' 1' ' ' PHE . 3.1 mm? -63.39 -56.01 19.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.594 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 28.6 pt -59.85 -39.3 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.7 -53.46 57.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -39.16 83.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.821 ' C ' ' HB ' ' A' ' 13' ' ' THR . 8.2 t -91.27 29.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -122.46 -45.93 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mm? -52.83 -60.76 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' MET . . . . . 0.433 ' C ' ' HG1' ' A' ' 13' ' ' THR . 50.7 mtm -121.39 35.62 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.821 ' HB ' ' C ' ' A' ' 9' ' ' SER . 36.2 m -153.74 143.05 14.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.97 57.56 4.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.803 . . . . 0.0 111.014 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.0 m -57.34 -49.04 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 1.594 ' CD1' ' CG2' ' A' ' 6' ' ' ILE . 28.5 pt -51.29 -28.22 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 59.7 mt-30 -101.57 -36.01 8.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -57.3 -54.7 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -69.28 -29.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.536 ' H ' HD13 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -65.83 -44.8 84.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.596 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.01 -43.12 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.641 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.61 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 1.039 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -101.03 -67.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.648 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 13.5 tp 86.11 29.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.93 -49.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.039 HG12 ' O ' ' A' ' 2' ' ' LEU . 20.3 pt -59.94 -32.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.11 -51.03 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.56 -38.98 73.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -94.89 22.51 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -109.35 37.69 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.39 -51.04 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.1 mtm -119.78 -59.58 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.8 m -64.68 133.25 95.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.09 176.4 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 1.088 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -74.95 59.25 5.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.86 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 18.9 m -56.57 -46.9 82.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.758 HD11 HG22 ' A' ' 6' ' ' ILE . 20.8 pt -47.09 -29.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 1.088 ' CG ' ' HB2' ' A' ' 15' ' ' PRO . 16.4 pt20 -113.78 -28.34 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.874 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.05 -50.48 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -72.2 -28.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.661 ' N ' HD13 ' A' ' 20' ' ' ILE . 6.2 t60 -67.94 -43.21 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.606 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -47.22 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.135 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.7 OUTLIER 176.69 -58.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 -44.76 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -73.29 -36.1 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.0 -54.28 47.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 18.8 pt -63.7 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.6 tt -61.3 -52.31 65.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.65 60.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 t -94.89 23.62 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -111.21 75.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.69 -59.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 78.4 mtp -129.93 -55.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -145.27 133.86 10.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.21 14.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 59.69 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.68 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 16.4 m -56.2 -46.88 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.52 -37.88 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -95.81 -35.73 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -56.76 -48.94 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 pp -68.39 -35.24 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.05 -46.34 87.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -178.465 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -41.16 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.401 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.989 ' CE2' HD13 ' A' ' 4' ' ' LEU . 2.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.975 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -104.5 -67.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.916 ' HA ' HG12 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.989 HD13 ' CE2' ' A' ' 1' ' ' PHE . 10.9 mp -65.14 -15.4 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.33 -45.39 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.975 HG23 ' O ' ' A' ' 2' ' ' LEU . 33.3 pt -58.87 -35.86 58.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 3' ' ' PRO . 91.5 mt -58.72 -43.31 90.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.92 -49.44 78.49 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 13' ' ' THR . 8.9 t -82.46 -4.61 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.978 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.89 -36.09 71.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.7 15.84 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 79.7 mtp -133.65 -60.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.955 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.7 m -152.36 123.21 3.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.835 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -74.97 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.835 ' HD2' ' HB2' ' A' ' 14' ' ' PRO . 18.3 Cg_endo -75.03 57.87 4.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ILE . 9.8 p -64.5 -48.73 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' HG3' ' A' ' 18' ' ' GLN . 34.9 pt -51.94 -29.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' ILE . 65.4 mt-30 -91.99 -39.73 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.12 66.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.7 pp -64.19 -34.06 66.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.536 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.6 t60 -65.87 -47.66 74.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.53 -49.31 78.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 0.758 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.8 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.97 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.0 tp -106.68 -69.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.97 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.97 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.99 -30.75 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -78.68 -55.58 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.766 ' CG1' ' O ' ' A' ' 2' ' ' LEU . 1.2 pp -60.28 -38.86 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.08 -48.16 71.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.25 -40.0 73.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -94.52 24.73 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -110.89 103.34 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 tp -160.38 -66.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 88.6 mtp -108.83 -49.91 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 56.6 m -148.84 134.79 9.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.379 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 175.37 11.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.26 5.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' ILE . 13.8 m -55.6 -46.21 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -47.78 -36.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -92.59 -39.86 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -55.99 -50.15 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 pp -65.58 -35.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.58 ' N ' HD12 ' A' ' 20' ' ' ILE . 32.0 t60 -63.88 -49.79 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.06 -37.71 88.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' PHE . . . . . 1.076 ' CA ' HD23 ' A' ' 5' ' ' LEU . 15.7 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.484 0.183 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.2 mt -17.09 -61.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.906 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.5 Cg_endo -74.99 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.2 mm? -60.41 -34.62 74.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 1.076 HD23 ' CA ' ' A' ' 1' ' ' PHE . 2.7 mm? -63.37 -57.01 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 1.167 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 26.0 pt -62.24 -39.06 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' LEU . 6.5 tt -64.36 -50.82 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.94 -40.84 74.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 t -95.39 24.73 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.052 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.011 HD22 ' HA ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.09 56.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mm? -110.86 -54.85 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.5 mtp -85.77 -54.56 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.1 m -148.61 136.92 11.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' PRO . . . . . 1.011 ' HA ' HD22 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 1.167 ' HG3' ' CB ' ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 60.67 5.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.568 1.825 . . . . 0.0 110.981 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.7 m -57.95 -47.71 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -51.39 -25.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 77.6 mm-40 -100.74 -35.61 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.77 -53.69 54.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.75 -28.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -177.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 21' ' ' HIS . . . . . 0.528 ' H ' HD13 ' A' ' 20' ' ' ILE . 14.4 t-80 -65.14 -49.71 68.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.618 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -39.26 82.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 1.092 ' HA ' HD23 ' A' ' 5' ' ' LEU . 14.5 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.97 ' CD1' ' OE1' ' A' ' 18' ' ' GLN . 38.4 tp -20.69 -58.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.979 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.2 Cg_endo -75.05 -55.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.767 . . . . 0.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.852 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 9.1 mp -61.2 -35.64 77.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.092 HD23 ' HA ' ' A' ' 1' ' ' PHE . 3.3 mm? -62.2 -56.27 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 25.0 pt -63.4 -37.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.53 -52.12 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.32 -41.5 79.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.949 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -92.81 23.53 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.67 64.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.5 -68.83 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 mtm -132.74 26.87 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.5 m -151.49 136.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.01 174.8 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.94 64.38 5.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLN . 21.2 m -63.65 178.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG13 HG23 ' A' ' 16' ' ' VAL . 54.5 mt 70.59 -52.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.97 ' OE1' ' CD1' ' A' ' 2' ' ' LEU . 64.6 mt-30 -90.9 -45.02 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . -56.28 -53.63 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.8 pp -60.84 -35.36 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.516 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.9 t-80 -67.88 -46.03 72.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.602 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.885 ' OD1' ' NH2' ' A' ' 25' ' ' ARG . 3.5 m-20 -64.61 -42.28 95.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.17 -24.01 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 2.1 mm100 -64.93 -34.19 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.885 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.0 mtm180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 54.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.618 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 170.59 -51.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -178.818 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.3 -30.56 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.6 -46.9 86.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.357 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 21.1 pt -61.08 -36.19 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.28 -39.65 51.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.055 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -94.46 17.02 13.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.01 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.84 HD21 ' HA ' ' A' ' 15' ' ' PRO . 1.2 mm? -123.53 21.7 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.4 mtp -96.61 -53.6 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.545 ' OG1' ' HD2' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -80.53 167.6 31.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.572 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' OG1' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 179.15 6.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.84 ' HA ' HD21 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.97 56.7 4.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 20' ' ' ILE . 13.3 m -60.53 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.357 ' CD1' ' HA ' ' A' ' 6' ' ' ILE . 26.5 pt -50.87 -25.68 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 17.4 mt-30 -103.36 -38.11 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -58.09 -53.06 62.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.5 -30.3 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -178.609 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -66.08 -47.61 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -177.684 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -44.2 69.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.81 89.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -72.18 -48.19 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 21' ' ' HIS . 8.0 mtm180 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 1.099 ' CA ' ' HB2' ' A' ' 5' ' ' LEU . 28.6 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.059 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 3.3 tm? 4.91 -72.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 1.059 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.1 Cg_endo -75.02 -63.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 1' ' ' PHE . 9.3 mp -67.05 -30.62 70.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.099 ' HB2' ' CA ' ' A' ' 1' ' ' PHE . 8.8 tp -64.88 -51.08 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 2' ' ' LEU . 11.6 pt -67.16 -35.65 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.18 -51.71 68.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.9 -36.19 65.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.592 ' OG ' ' O ' ' A' ' 13' ' ' THR . 23.2 t -92.91 20.07 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.52 156.68 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.3 mm? 58.33 15.42 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.415 ' C ' ' HG1' ' A' ' 13' ' ' THR . 62.0 mtp -148.09 -74.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.592 ' O ' ' OG ' ' A' ' 9' ' ' SER . 56.6 m -153.07 133.81 7.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.0 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 61.13 5.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 20' ' ' ILE . 18.8 m -57.84 -49.58 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 16' ' ' VAL . 24.7 pt -49.5 -28.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 66.3 mt-30 -94.85 -43.37 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.23 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 pp -64.29 -35.63 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.3 t60 -66.6 -46.92 74.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.61 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.939 ' HA ' ' HG3' ' A' ' 25' ' ' ARG . 1.4 t70 -59.93 -48.46 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.19 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -96.52 25.47 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.939 ' HG3' ' HA ' ' A' ' 22' ' ' ASP . 59.3 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.896 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.2 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.944 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.4 tp -111.74 -66.45 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.944 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.99 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.896 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 95.7 mt -57.9 -33.46 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 1.0 OUTLIER -70.54 -54.3 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 2' ' ' LEU . 35.2 pt -59.69 -37.93 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.58 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.84 ' O ' ' HB2' ' A' ' 12' ' ' MET . . . -56.49 -39.61 84.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.888 ' OG ' ' O ' ' A' ' 13' ' ' THR . 31.4 t -88.56 21.41 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.051 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -107.68 -44.45 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 26.89 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.84 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 66.7 mtp -141.52 -61.05 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.888 ' O ' ' OG ' ' A' ' 9' ' ' SER . 39.1 m -148.59 134.67 9.86 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.0 Cg_endo -75.06 167.96 25.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.62 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 60.83 5.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.3 m -57.4 -48.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 21.2 pt -53.92 -24.53 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 70.6 mt-30 -99.11 -38.9 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.79 -52.47 65.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -70.37 -26.48 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -178.497 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 1.207 ' O ' ' N ' ' A' ' 25' ' ' ARG . 3.3 t60 -70.45 -45.53 65.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -59.02 -33.6 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -41.65 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' A' ' 21' ' ' HIS . 6.1 pt20 -97.45 -27.69 14.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 1.207 ' N ' ' O ' ' A' ' 21' ' ' HIS . 36.7 mtt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 1.047 ' CA ' HD23 ' A' ' 5' ' ' LEU . 14.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.644 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.1 mt -18.38 -60.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.922 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.3 Cg_endo -75.0 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.3 mm? -62.7 -35.04 78.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -177.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.047 HD23 ' CA ' ' A' ' 1' ' ' PHE . 3.1 mm? -63.39 -56.01 19.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.594 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 28.6 pt -59.85 -39.3 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.7 -53.46 57.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -39.16 83.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.821 ' C ' ' HB ' ' A' ' 13' ' ' THR . 8.2 t -91.27 29.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -122.46 -45.93 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mm? -52.83 -60.76 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' MET . . . . . 0.433 ' C ' ' HG1' ' A' ' 13' ' ' THR . 50.7 mtm -121.39 35.62 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.821 ' HB ' ' C ' ' A' ' 9' ' ' SER . 36.2 m -153.74 143.05 14.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.97 57.56 4.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.803 . . . . 0.0 111.014 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.0 m -57.34 -49.04 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 1.594 ' CD1' ' CG2' ' A' ' 6' ' ' ILE . 28.5 pt -51.29 -28.22 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 59.7 mt-30 -101.57 -36.01 8.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -57.3 -54.7 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -69.28 -29.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.655 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -65.83 -44.8 84.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.596 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 1.1 t70 -53.01 -43.12 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.99 -40.92 82.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -74.39 -48.19 29.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' ' O ' ' A' ' 21' ' ' HIS . 18.3 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.61 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 1.039 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -101.03 -67.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.648 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 13.5 tp 86.11 29.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.93 -49.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.039 HG12 ' O ' ' A' ' 2' ' ' LEU . 20.3 pt -59.94 -32.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.11 -51.03 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.56 -38.98 73.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -94.89 22.51 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -109.35 37.69 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.39 -51.04 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.1 mtm -119.78 -59.58 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.8 m -64.68 133.25 95.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.09 176.4 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 1.088 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -74.95 59.25 5.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.86 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 18.9 m -56.57 -46.9 82.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.758 HD11 HG22 ' A' ' 6' ' ' ILE . 20.8 pt -47.09 -29.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 1.088 ' CG ' ' HB2' ' A' ' 15' ' ' PRO . 16.4 pt20 -113.78 -28.34 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.874 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.05 -50.48 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -72.2 -28.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.661 ' N ' HD13 ' A' ' 20' ' ' ILE . 6.2 t60 -67.94 -43.21 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.606 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.906 ' CG ' ' NH2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -60.63 -47.22 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.51 -25.71 65.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 6.2 mm100 -61.84 -36.85 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.906 ' NH2' ' CG ' ' A' ' 22' ' ' ASP . 6.3 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.7 OUTLIER 176.69 -58.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 -44.76 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.53 ' O ' HD13 ' A' ' 4' ' ' LEU . 0.5 OUTLIER -73.29 -36.1 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.0 -54.28 47.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 18.8 pt -63.7 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.6 tt -61.3 -52.31 65.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.65 60.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 t -94.89 23.62 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -111.21 75.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.69 -59.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 78.4 mtp -129.93 -55.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -145.27 133.86 10.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.21 14.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 59.69 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.68 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 16.4 m -56.2 -46.88 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.52 -37.88 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -95.81 -35.73 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -56.76 -48.94 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 pp -68.39 -35.24 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.05 -46.34 87.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -178.465 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -41.16 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -41.77 69.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 79.1 mt-30 -71.58 -48.61 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' HIS . 9.3 mtm180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.989 ' CE2' HD13 ' A' ' 4' ' ' LEU . 2.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.975 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -104.5 -67.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' HA ' HG12 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.989 HD13 ' CE2' ' A' ' 1' ' ' PHE . 10.9 mp -65.14 -15.4 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.33 -45.39 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.975 HG23 ' O ' ' A' ' 2' ' ' LEU . 33.3 pt -58.87 -35.86 58.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 3' ' ' PRO . 91.5 mt -58.72 -43.31 90.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.92 -49.44 78.49 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 13' ' ' THR . 8.9 t -82.46 -4.61 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.978 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.89 -36.09 71.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.7 15.84 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 79.7 mtp -133.65 -60.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.955 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.7 m -152.36 123.21 3.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.835 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -74.97 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.835 ' HD2' ' HB2' ' A' ' 14' ' ' PRO . 18.3 Cg_endo -75.03 57.87 4.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ILE . 9.8 p -64.5 -48.73 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' HG3' ' A' ' 18' ' ' GLN . 34.9 pt -51.94 -29.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' ILE . 65.4 mt-30 -91.99 -39.73 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.12 66.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.7 pp -64.19 -34.06 66.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.536 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.6 t60 -65.87 -47.66 74.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -59.53 -49.31 78.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.041 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.7 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.89 -50.82 15.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 0.758 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.8 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.97 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.0 tp -106.68 -69.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.97 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.97 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.99 -30.75 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -78.68 -55.58 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.766 ' CG1' ' O ' ' A' ' 2' ' ' LEU . 1.2 pp -60.28 -38.86 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.08 -48.16 71.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.25 -40.0 73.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -94.52 24.73 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -110.89 103.34 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 tp -160.38 -66.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 88.6 mtp -108.83 -49.91 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 56.6 m -148.84 134.79 9.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.379 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 175.37 11.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.26 5.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' ILE . 13.8 m -55.6 -46.21 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -47.78 -36.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -92.59 -39.86 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -55.99 -50.15 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 pp -65.58 -35.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 0.993 ' CE1' ' NH2' ' A' ' 25' ' ' ARG . 32.0 t60 -63.88 -49.79 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.06 -37.71 88.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.48 78.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 20' ' ' ILE . 61.9 mt-30 -52.56 -38.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.993 ' NH2' ' CE1' ' A' ' 21' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PHE . . . . . 1.076 ' CA ' HD23 ' A' ' 5' ' ' LEU . 15.7 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.484 0.183 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.2 mt -17.09 -61.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.906 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.5 Cg_endo -74.99 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.2 mm? -60.41 -34.62 74.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 1.076 HD23 ' CA ' ' A' ' 1' ' ' PHE . 2.7 mm? -63.37 -57.01 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 1.167 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 26.0 pt -62.24 -39.06 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' LEU . 6.5 tt -64.36 -50.82 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.94 -40.84 74.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 t -95.39 24.73 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.052 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.011 HD22 ' HA ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.09 56.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.438 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mm? -110.86 -54.85 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.5 mtp -85.77 -54.56 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.1 m -148.61 136.92 11.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PRO . . . . . 1.011 ' HA ' HD22 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 1.167 ' HG3' ' CB ' ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 60.67 5.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.568 1.825 . . . . 0.0 110.981 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.7 m -57.95 -47.71 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -51.39 -25.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 77.6 mm-40 -100.74 -35.61 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.77 -53.69 54.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.75 -28.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -177.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 21' ' ' HIS . . . . . 1.069 ' ND1' ' NH2' ' A' ' 25' ' ' ARG . 46.3 t60 -65.14 -49.71 68.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.618 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -39.26 82.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.67 -46.75 77.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 32.6 mm-40 -52.49 -33.33 44.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 1.069 ' NH2' ' ND1' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 1.092 ' HA ' HD23 ' A' ' 5' ' ' LEU . 14.5 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.97 ' CD1' ' OE1' ' A' ' 18' ' ' GLN . 38.4 tp -20.69 -58.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.979 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.2 Cg_endo -75.05 -55.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.767 . . . . 0.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.852 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 9.1 mp -61.2 -35.64 77.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.092 HD23 ' HA ' ' A' ' 1' ' ' PHE . 3.3 mm? -62.2 -56.27 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 25.0 pt -63.4 -37.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.53 -52.12 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.32 -41.5 79.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.949 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -92.81 23.53 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.67 64.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.5 -68.83 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 mtm -132.74 26.87 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.5 m -151.49 136.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.01 174.8 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.94 64.38 5.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLN . 21.2 m -63.65 178.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.415 HG13 HG23 ' A' ' 16' ' ' VAL . 54.5 mt 70.59 -52.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.97 ' OE1' ' CD1' ' A' ' 2' ' ' LEU . 64.6 mt-30 -90.9 -45.02 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . -56.28 -53.63 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.8 pp -60.84 -35.36 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.516 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.9 t-80 -67.88 -46.03 72.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.602 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.61 -42.28 95.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.492 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 54.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.618 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 170.59 -51.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -178.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.3 -30.56 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.6 -46.9 86.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.357 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 21.1 pt -61.08 -36.19 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.28 -39.65 51.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.055 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -94.46 17.02 13.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.01 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.84 HD21 ' HA ' ' A' ' 15' ' ' PRO . 1.2 mm? -123.53 21.7 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.4 mtp -96.61 -53.6 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.545 ' OG1' ' HD2' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -80.53 167.6 31.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' OG1' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 179.15 6.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.84 ' HA ' HD21 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.97 56.7 4.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 20' ' ' ILE . 13.3 m -60.53 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.357 ' CD1' ' HA ' ' A' ' 6' ' ' ILE . 26.5 pt -50.87 -25.68 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 40.9 mt-30 -103.36 -38.11 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -58.09 -53.06 62.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.5 -30.3 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -178.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.597 ' H ' HD13 ' A' ' 20' ' ' ILE . 0.4 OUTLIER -66.08 -47.61 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -177.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -44.2 69.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 1.099 ' CA ' ' HB2' ' A' ' 5' ' ' LEU . 28.6 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.059 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 3.3 tm? 4.91 -72.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 1.059 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.1 Cg_endo -75.02 -63.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 1' ' ' PHE . 9.3 mp -67.05 -30.62 70.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.099 ' HB2' ' CA ' ' A' ' 1' ' ' PHE . 8.8 tp -64.88 -51.08 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 2' ' ' LEU . 11.6 pt -67.16 -35.65 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.18 -51.71 68.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.9 -36.19 65.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.592 ' OG ' ' O ' ' A' ' 13' ' ' THR . 23.2 t -92.91 20.07 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.52 156.68 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.3 mm? 58.33 15.42 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.415 ' C ' ' HG1' ' A' ' 13' ' ' THR . 62.0 mtp -148.09 -74.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.592 ' O ' ' OG ' ' A' ' 9' ' ' SER . 56.6 m -153.07 133.81 7.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.0 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 61.13 5.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 20' ' ' ILE . 18.8 m -57.84 -49.58 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 16' ' ' VAL . 24.7 pt -49.5 -28.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 66.3 mt-30 -94.85 -43.37 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.23 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 pp -64.29 -35.63 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.494 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.3 t60 -66.6 -46.92 74.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.61 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -59.93 -48.46 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.19 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.896 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.2 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.944 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.4 tp -111.74 -66.45 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.944 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.99 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.896 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 95.7 mt -57.9 -33.46 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 1.0 OUTLIER -70.54 -54.3 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 2' ' ' LEU . 35.2 pt -59.69 -37.93 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.58 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.84 ' O ' ' HB2' ' A' ' 12' ' ' MET . . . -56.49 -39.61 84.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.888 ' OG ' ' O ' ' A' ' 13' ' ' THR . 31.4 t -88.56 21.41 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.051 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -107.68 -44.45 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 26.89 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.84 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 66.7 mtp -141.52 -61.05 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.888 ' O ' ' OG ' ' A' ' 9' ' ' SER . 39.1 m -148.59 134.67 9.86 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.0 Cg_endo -75.06 167.96 25.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.62 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 60.83 5.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.3 m -57.4 -48.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 21.2 pt -53.92 -24.53 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 70.6 mt-30 -99.11 -38.9 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.79 -52.47 65.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -70.37 -26.48 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -178.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.696 ' N ' HD13 ' A' ' 20' ' ' ILE . 3.3 t60 -70.45 -45.53 65.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.02 -33.6 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.278 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 1.047 ' CA ' HD23 ' A' ' 5' ' ' LEU . 14.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.644 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.1 mt -18.38 -60.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.922 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.3 Cg_endo -75.0 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.3 mm? -62.7 -35.04 78.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -177.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.047 HD23 ' CA ' ' A' ' 1' ' ' PHE . 3.1 mm? -63.39 -56.01 19.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.594 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 28.6 pt -59.85 -39.3 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.7 -53.46 57.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -39.16 83.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.821 ' C ' ' HB ' ' A' ' 13' ' ' THR . 8.2 t -91.27 29.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -122.46 -45.93 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mm? -52.83 -60.76 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . 0.433 ' C ' ' HG1' ' A' ' 13' ' ' THR . 50.7 mtm -121.39 35.62 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.821 ' HB ' ' C ' ' A' ' 9' ' ' SER . 36.2 m -153.74 143.05 14.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.97 57.56 4.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.803 . . . . 0.0 111.014 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.0 m -57.34 -49.04 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 1.594 ' CD1' ' CG2' ' A' ' 6' ' ' ILE . 28.5 pt -51.29 -28.22 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 59.7 mt-30 -101.57 -36.01 8.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -57.3 -54.7 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -69.28 -29.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.536 ' H ' HD13 ' A' ' 20' ' ' ILE . 0.7 OUTLIER -65.83 -44.8 84.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.596 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -53.01 -43.12 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.641 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.61 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 1.039 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -101.03 -67.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.648 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 13.5 tp 86.11 29.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.93 -49.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.039 HG12 ' O ' ' A' ' 2' ' ' LEU . 20.3 pt -59.94 -32.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.11 -51.03 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.56 -38.98 73.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -94.89 22.51 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -109.35 37.69 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.39 -51.04 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.1 mtm -119.78 -59.58 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.8 m -64.68 133.25 95.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.09 176.4 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 1.088 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -74.95 59.25 5.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.86 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 18.9 m -56.57 -46.9 82.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.758 HD11 HG22 ' A' ' 6' ' ' ILE . 20.8 pt -47.09 -29.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 1.088 ' CG ' ' HB2' ' A' ' 15' ' ' PRO . 19.3 pt20 -113.78 -28.34 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.874 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.05 -50.48 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -72.2 -28.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.661 ' N ' HD13 ' A' ' 20' ' ' ILE . 6.2 t60 -67.94 -43.21 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.606 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -60.63 -47.22 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.635 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.135 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.7 OUTLIER 176.69 -58.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 -44.76 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -73.29 -36.1 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.0 -54.28 47.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 18.8 pt -63.7 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.6 tt -61.3 -52.31 65.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.65 60.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 t -94.89 23.62 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -111.21 75.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.69 -59.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 78.4 mtp -129.93 -55.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -145.27 133.86 10.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.21 14.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 59.69 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.68 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 16.4 m -56.2 -46.88 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.52 -37.88 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -95.81 -35.73 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -56.76 -48.94 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 pp -68.39 -35.24 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.05 -46.34 87.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -178.465 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -41.16 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.401 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.989 ' CE2' HD13 ' A' ' 4' ' ' LEU . 2.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.975 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -104.5 -67.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.916 ' HA ' HG12 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.989 HD13 ' CE2' ' A' ' 1' ' ' PHE . 10.9 mp -65.14 -15.4 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.33 -45.39 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.975 HG23 ' O ' ' A' ' 2' ' ' LEU . 33.3 pt -58.87 -35.86 58.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 3' ' ' PRO . 91.5 mt -58.72 -43.31 90.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.92 -49.44 78.49 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 13' ' ' THR . 8.9 t -82.46 -4.61 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.978 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.89 -36.09 71.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.7 15.84 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 79.7 mtp -133.65 -60.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.955 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.7 m -152.36 123.21 3.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.835 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -74.97 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.835 ' HD2' ' HB2' ' A' ' 14' ' ' PRO . 18.3 Cg_endo -75.03 57.87 4.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ILE . 9.8 p -64.5 -48.73 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' HG3' ' A' ' 18' ' ' GLN . 34.9 pt -51.94 -29.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' ILE . 65.4 mt-30 -91.99 -39.73 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.12 66.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.7 pp -64.19 -34.06 66.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.536 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.6 t60 -65.87 -47.66 74.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -59.53 -49.31 78.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.045 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 0.758 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.8 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.97 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.0 tp -106.68 -69.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.97 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.97 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.99 -30.75 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -78.68 -55.58 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.766 ' CG1' ' O ' ' A' ' 2' ' ' LEU . 1.2 pp -60.28 -38.86 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.08 -48.16 71.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.25 -40.0 73.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -94.52 24.73 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -110.89 103.34 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 tp -160.38 -66.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 88.6 mtp -108.83 -49.91 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 56.6 m -148.84 134.79 9.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.379 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 175.37 11.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.26 5.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' ILE . 13.8 m -55.6 -46.21 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -47.78 -36.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -92.59 -39.86 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -55.99 -50.15 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 pp -65.58 -35.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.58 ' N ' HD12 ' A' ' 20' ' ' ILE . 32.0 t60 -63.88 -49.79 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.06 -37.71 88.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.744 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' PHE . . . . . 1.076 ' CA ' HD23 ' A' ' 5' ' ' LEU . 15.7 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.484 0.183 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.2 mt -17.09 -61.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.906 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.5 Cg_endo -74.99 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.2 mm? -60.41 -34.62 74.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 1.076 HD23 ' CA ' ' A' ' 1' ' ' PHE . 2.7 mm? -63.37 -57.01 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 1.167 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 26.0 pt -62.24 -39.06 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' LEU . 6.5 tt -64.36 -50.82 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.94 -40.84 74.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 t -95.39 24.73 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.052 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.011 HD22 ' HA ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.09 56.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -110.86 -54.85 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.5 mtp -85.77 -54.56 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.1 m -148.61 136.92 11.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' PRO . . . . . 1.011 ' HA ' HD22 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 1.167 ' HG3' ' CB ' ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 60.67 5.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.568 1.825 . . . . 0.0 110.981 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.7 m -57.95 -47.71 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -51.39 -25.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 77.6 mm-40 -100.74 -35.61 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.77 -53.69 54.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.75 -28.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -177.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' HIS . . . . . 0.528 ' H ' HD13 ' A' ' 20' ' ' ILE . 14.4 t-80 -65.14 -49.71 68.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.618 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -39.26 82.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.948 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 1.092 ' HA ' HD23 ' A' ' 5' ' ' LEU . 14.5 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.97 ' CD1' ' OE1' ' A' ' 18' ' ' GLN . 38.4 tp -20.69 -58.06 0.07 OUTLIER Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.979 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.2 Cg_endo -75.05 -55.29 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.456 1.767 . . . . 0.0 110.971 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.852 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 9.1 mp -61.2 -35.64 77.74 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.092 HD23 ' HA ' ' A' ' 1' ' ' PHE . 3.3 mm? -62.2 -56.27 20.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.283 -178.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.524 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 25.0 pt -63.4 -37.61 79.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.272 -179.637 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 58.5 tp -62.53 -52.12 64.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 109.297 -179.528 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.32 -41.5 79.9 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.459 1.1 . . . . 0.0 110.949 179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.8 t -92.81 23.53 4.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 0.755 . . . . 0.0 109.995 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.524 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -99.67 64.63 1.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.306 -179.81 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 92.3 mt -127.5 -68.83 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 52.1 mtm -132.74 26.87 4.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 111.011 -179.817 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.415 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 63.5 m -151.49 136.15 10.15 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 110.45 -179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.415 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.01 174.8 12.17 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.514 1.797 . . . . 0.0 111.025 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.94 64.38 5.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.491 1.785 . . . . 0.0 111.002 179.634 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' O ' ' N ' ' A' ' 18' ' ' GLN . 21.2 m -63.65 178.24 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.454 1.096 . . . . 0.0 109.267 -179.513 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.415 HG13 HG23 ' A' ' 16' ' ' VAL . 54.5 mt 70.59 -52.41 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.33 179.028 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.97 ' OE1' ' CD1' ' A' ' 2' ' ' LEU . 64.6 mt-30 -90.9 -45.02 9.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 110.321 -179.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' PRO . . . -56.28 -53.63 54.99 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.297 -179.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.516 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.8 pp -60.84 -35.36 64.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -178.776 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.516 ' N ' HD12 ' A' ' 20' ' ' ILE . 1.9 t-80 -67.88 -46.03 72.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 1.095 . . . . 0.0 109.602 -178.698 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.885 ' OD1' ' NH2' ' A' ' 25' ' ' ARG . 3.5 m-20 -64.61 -42.28 95.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -69.17 -24.01 64.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.439 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 2.1 mm100 -64.93 -34.19 77.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 110.309 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.885 ' NH2' ' OD1' ' A' ' 22' ' ' ASP . 8.0 mtm180 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.335 179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.465 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 54.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.51 0.195 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.618 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.5 OUTLIER 170.59 -51.0 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 -178.818 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.516 ' CD ' ' N ' ' A' ' 2' ' ' LEU . 18.2 Cg_endo -74.98 -44.19 0.35 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.493 1.786 . . . . 0.0 110.986 179.61 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.9 mp -95.3 -30.56 13.89 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -178.751 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.414 HD13 ' O ' ' A' ' 5' ' ' LEU . 0.6 OUTLIER -58.6 -46.9 86.02 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.302 -179.39 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.357 ' HA ' ' CD1' ' A' ' 17' ' ' ILE . 21.1 pt -61.08 -36.19 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 109.301 -179.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 37.0 tp -60.34 -45.38 93.64 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 -179.58 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -52.28 -39.65 51.6 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.54 1.15 . . . . 0.0 111.055 179.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 t -94.46 17.02 13.83 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.485 0.756 . . . . 0.0 110.01 -179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.84 HD21 ' HA ' ' A' ' 15' ' ' PRO . 1.2 mm? -123.53 21.7 9.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 109.288 -179.709 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.72 -64.79 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 -179.616 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 61.4 mtp -96.61 -53.6 3.52 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 111.003 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.545 ' OG1' ' HD2' ' A' ' 14' ' ' PRO . 0.5 OUTLIER -80.53 167.6 31.63 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.376 -179.572 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.545 ' HD2' ' OG1' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.06 179.15 6.39 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.528 1.804 . . . . 0.0 110.969 -179.637 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.84 ' HA ' HD21 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -74.97 56.7 4.32 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.498 1.789 . . . . 0.0 110.988 179.795 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.809 ' O ' HG23 ' A' ' 20' ' ' ILE . 13.3 m -60.53 -49.13 85.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.112 . . . . 0.0 109.265 -179.792 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.357 ' CD1' ' HA ' ' A' ' 6' ' ' ILE . 26.5 pt -50.87 -25.68 3.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.314 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.421 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 40.9 mt-30 -103.36 -38.11 7.35 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.668 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -58.09 -53.06 62.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.315 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.809 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.5 -30.3 46.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.47 1.106 . . . . 0.0 109.335 -178.609 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.652 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.4 OUTLIER -66.08 -47.61 73.71 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 109.558 -177.684 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.61 -44.2 69.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.295 -179.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.34 -43.81 89.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -72.18 -48.19 45.13 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 179.161 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.652 ' N ' ' O ' ' A' ' 21' ' ' HIS . 8.0 mtm180 . . . . . 0 C--N 1.324 -0.525 0 O-C-N 124.568 1.168 . . . . 0.0 110.293 179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 1.099 ' CA ' ' HB2' ' A' ' 5' ' ' LEU . 28.6 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.059 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 3.3 tm? 4.91 -72.18 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 178.4 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 1.059 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.1 Cg_endo -75.02 -63.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.53 1.805 . . . . 0.0 110.995 -178.47 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 1' ' ' PHE . 9.3 mp -67.05 -30.62 70.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.277 -178.557 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.099 ' HB2' ' CA ' ' A' ' 1' ' ' PHE . 8.8 tp -64.88 -51.08 63.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 -179.488 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.674 HG23 ' O ' ' A' ' 2' ' ' LEU . 11.6 pt -67.16 -35.65 74.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.31 -179.149 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.18 -51.71 68.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.102 . . . . 0.0 109.276 -179.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.9 -36.19 65.88 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.465 1.103 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.592 ' OG ' ' O ' ' A' ' 13' ' ' THR . 23.2 t -92.91 20.07 7.03 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 0.764 . . . . 0.0 110.027 -179.69 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 6' ' ' ILE . 0.5 OUTLIER -117.52 156.68 27.63 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 -179.59 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.455 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.3 mm? 58.33 15.42 3.42 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.514 1.133 . . . . 0.0 109.283 179.562 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.415 ' C ' ' HG1' ' A' ' 13' ' ' THR . 62.0 mtp -148.09 -74.88 0.18 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 111.03 -179.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.592 ' O ' ' OG ' ' A' ' 9' ' ' SER . 56.6 m -153.07 133.81 7.96 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.42 -178.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -75.0 173.78 13.92 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.471 1.774 . . . . 0.0 111.024 -179.793 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.486 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.3 Cg_endo -74.94 61.13 5.56 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.663 ' O ' HG13 ' A' ' 20' ' ' ILE . 18.8 m -57.84 -49.58 80.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 109.35 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' N ' HG23 ' A' ' 16' ' ' VAL . 24.7 pt -49.5 -28.82 3.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.487 1.117 . . . . 0.0 109.263 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.486 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 66.3 mt-30 -94.85 -43.37 8.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.339 -178.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.59 -50.23 70.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.663 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.8 pp -64.29 -35.63 74.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.494 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.3 t60 -66.6 -46.92 74.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.461 1.101 . . . . 0.0 109.61 -178.508 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.939 ' HA ' ' HG3' ' A' ' 25' ' ' ARG . 1.4 t70 -59.93 -48.46 81.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 -179.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -53.16 -34.19 55.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 36.7 mm-40 -96.52 25.47 5.07 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 0.0 110.324 178.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.939 ' HG3' ' HA ' ' A' ' 22' ' ' ASP . 59.3 mtm180 . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.461 1.101 . . . . 0.0 110.32 -179.736 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.896 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.2 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.511 0.196 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.944 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.4 tp -111.74 -66.45 0.03 OUTLIER Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.944 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.99 -54.85 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.501 1.79 . . . . 0.0 111.018 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.896 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 95.7 mt -57.9 -33.46 68.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -178.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.566 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 1.0 OUTLIER -70.54 -54.3 12.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.44 1.088 . . . . 0.0 109.274 -179.027 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.581 HG12 ' O ' ' A' ' 2' ' ' LEU . 35.2 pt -59.69 -37.93 73.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.455 1.097 . . . . 0.0 109.282 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 48.5 tp -60.58 -54.68 42.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.313 -179.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.84 ' O ' ' HB2' ' A' ' 12' ' ' MET . . . -56.49 -39.61 84.72 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.509 1.13 . . . . 0.0 110.988 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.888 ' OG ' ' O ' ' A' ' 13' ' ' THR . 31.4 t -88.56 21.41 2.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 0.755 . . . . 0.0 110.051 -179.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.488 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -107.68 -44.45 4.25 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.474 1.109 . . . . 0.0 109.281 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -112.72 26.89 10.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 179.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.84 ' HB2' ' O ' ' A' ' 8' ' ' GLY . 66.7 mtp -141.52 -61.05 0.47 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 110.988 -179.514 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.888 ' O ' ' OG ' ' A' ' 9' ' ' SER . 39.1 m -148.59 134.67 9.86 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.084 . . . . 0.0 110.387 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.0 Cg_endo -75.06 167.96 25.84 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.483 1.781 . . . . 0.0 110.966 -179.441 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.62 ' HB2' ' HB2' ' A' ' 18' ' ' GLN . 18.4 Cg_endo -75.0 60.83 5.54 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.464 1.77 . . . . 0.0 110.986 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.867 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.3 m -57.4 -48.69 82.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.428 1.08 . . . . 0.0 109.289 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.431 ' O ' ' HB2' ' A' ' 21' ' ' HIS . 21.2 pt -53.92 -24.53 10.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.638 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.62 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 70.6 mt-30 -99.11 -38.9 8.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.548 1.155 . . . . 0.0 110.337 -179.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.536 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.79 -52.47 65.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.331 179.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.867 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -70.37 -26.48 29.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 -178.497 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 1.207 ' O ' ' N ' ' A' ' 25' ' ' ARG . 3.3 t60 -70.45 -45.53 65.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.548 -178.136 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.571 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 0.3 OUTLIER -59.02 -33.6 70.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -74.34 -41.65 60.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.516 1.135 . . . . 0.0 109.249 179.278 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.503 ' HG2' ' HA ' ' A' ' 21' ' ' HIS . 2.1 pt20 -97.45 -27.69 14.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.287 178.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.207 ' N ' ' O ' ' A' ' 21' ' ' HIS . 36.7 mtt180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.316 -179.817 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 1.047 ' CA ' HD23 ' A' ' 5' ' ' LEU . 14.2 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.524 0.202 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.644 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.1 mt -18.38 -60.33 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 109.278 178.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.922 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.3 Cg_endo -75.0 -54.94 0.08 OUTLIER 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.507 1.793 . . . . 0.0 111.026 -179.004 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.796 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.3 mm? -62.7 -35.04 78.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.455 1.097 . . . . 0.0 109.269 -177.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.047 HD23 ' CA ' ' A' ' 1' ' ' PHE . 3.1 mm? -63.39 -56.01 19.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 109.361 -179.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.594 ' CG2' ' CD1' ' A' ' 17' ' ' ILE . 28.6 pt -59.85 -39.3 79.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.323 -179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 51.8 tp -60.7 -53.46 57.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.341 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -56.51 -39.16 83.88 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.821 ' C ' ' HB ' ' A' ' 13' ' ' THR . 8.2 t -91.27 29.26 1.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.539 0.788 . . . . 0.0 110.001 -179.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.55 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -122.46 -45.93 2.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 109.313 179.75 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.404 HD13 ' HA ' ' A' ' 11' ' ' LEU . 4.1 mm? -52.83 -60.76 2.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.246 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . 0.433 ' C ' ' HG1' ' A' ' 13' ' ' THR . 50.7 mtm -121.39 35.62 4.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.011 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.821 ' HB ' ' C ' ' A' ' 9' ' ' SER . 36.2 m -153.74 143.05 14.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.389 -179.128 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.451 ' HD2' ' CG2' ' A' ' 13' ' ' THR . 18.2 Cg_endo -75.01 175.74 10.85 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.553 1.817 . . . . 0.0 110.968 179.285 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.729 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.97 57.56 4.59 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.527 1.803 . . . . 0.0 111.014 179.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.732 ' O ' HD12 ' A' ' 20' ' ' ILE . 19.0 m -57.34 -49.04 81.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.273 179.78 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 1.594 ' CD1' ' CG2' ' A' ' 6' ' ' ILE . 28.5 pt -51.29 -28.22 7.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 109.332 179.623 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.491 ' HA ' ' HB3' ' A' ' 21' ' ' HIS . 59.7 mt-30 -101.57 -36.01 8.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.295 -179.671 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.729 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -57.3 -54.7 43.78 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.263 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.732 HD12 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -69.28 -29.65 43.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.525 1.14 . . . . 0.0 109.27 -178.501 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.655 ' O ' ' N ' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -65.83 -44.8 84.47 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.145 . . . . 0.0 109.596 -177.833 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 25' ' ' ARG . 1.1 t70 -53.01 -43.12 66.25 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.275 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -67.99 -40.92 82.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.468 1.105 . . . . 0.0 109.263 -179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -74.39 -48.19 29.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 110.315 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.655 ' N ' ' O ' ' A' ' 21' ' ' HIS . 18.3 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 110.33 179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.61 ' CD2' ' HD2' ' A' ' 3' ' ' PRO . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.482 0.182 . . . . 0.0 111.009 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 1.039 ' O ' HG12 ' A' ' 6' ' ' ILE . 0.9 OUTLIER -101.03 -67.4 0.05 OUTLIER Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 -178.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.648 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.4 Cg_endo -74.94 121.11 6.39 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.479 1.778 . . . . 0.0 110.982 -179.435 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.443 ' CB ' ' O ' ' A' ' 3' ' ' PRO . 13.5 tp 86.11 29.37 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.336 176.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -158.93 -49.62 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.039 HG12 ' O ' ' A' ' 2' ' ' LEU . 20.3 pt -59.94 -32.17 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.305 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.0 mp -57.11 -51.03 70.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.267 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.56 -38.98 73.1 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 179.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 t -94.89 22.51 6.4 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 0.76 . . . . 0.0 110.015 179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.482 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -109.35 37.69 2.53 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 -179.528 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -107.39 -51.04 2.97 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.519 1.137 . . . . 0.0 109.31 -179.719 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 55.1 mtm -119.78 -59.58 1.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.978 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.405 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 25.8 m -64.68 133.25 95.66 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 110.411 179.583 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.425 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -75.09 176.4 9.98 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.508 1.794 . . . . 0.0 110.94 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 1.088 ' HB2' ' CG ' ' A' ' 18' ' ' GLN . 18.5 Cg_endo -74.95 59.25 5.1 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.44 1.758 . . . . 0.0 110.976 179.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.86 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 18.9 m -56.57 -46.9 82.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.758 HD11 HG22 ' A' ' 6' ' ' ILE . 20.8 pt -47.09 -29.38 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.43 1.081 . . . . 0.0 109.254 179.043 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 1.088 ' CG ' ' HB2' ' A' ' 15' ' ' PRO . 19.3 pt20 -113.78 -28.34 7.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.138 . . . . 0.0 110.305 -179.597 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.874 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.05 -50.48 73.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.292 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -72.2 -28.14 28.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.257 -178.094 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.661 ' N ' HD13 ' A' ' 20' ' ' ILE . 6.2 t60 -67.94 -43.21 79.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 109.606 -178.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.906 ' CG ' ' NH2' ' A' ' 25' ' ' ARG . 0.7 OUTLIER -60.63 -47.22 87.2 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 109.329 -179.635 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -68.51 -25.71 65.09 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.299 -179.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.495 ' HB2' ' O ' ' A' ' 21' ' ' HIS . 6.2 mm100 -61.84 -36.85 82.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.304 179.365 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.906 ' NH2' ' CG ' ' A' ' 22' ' ' ASP . 6.3 mtm180 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.288 179.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . . . . . . . . . 48.4 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.519 0.2 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.479 ' CB ' ' HD3' ' A' ' 3' ' ' PRO . 0.7 OUTLIER 176.69 -58.83 0.0 OUTLIER Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 -179.049 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.479 ' HD3' ' CB ' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.99 -44.76 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.011 -179.406 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.53 HD13 ' O ' ' A' ' 4' ' ' LEU . 0.5 OUTLIER -73.29 -36.1 66.24 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 -177.027 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -60.0 -54.28 47.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.283 -178.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 10' ' ' LEU . 18.8 pt -63.7 -37.48 79.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.092 . . . . 0.0 109.292 -179.49 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.425 ' C ' HD23 ' A' ' 7' ' ' LEU . 7.6 tt -61.3 -52.31 65.22 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.502 1.126 . . . . 0.0 109.266 -179.535 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -53.91 -38.65 60.53 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.459 1.099 . . . . 0.0 111.011 179.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.8 t -94.89 23.62 5.39 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.774 . . . . 0.0 110.01 179.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -111.21 75.76 0.94 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.796 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 96.1 mt -110.69 -59.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.29 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 78.4 mtp -129.93 -55.4 1.13 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.992 -179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.4 m -145.27 133.86 10.91 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.419 -179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 173.21 14.91 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.522 1.801 . . . . 0.0 110.996 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.669 ' O ' ' N ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 59.69 5.27 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.512 1.796 . . . . 0.0 110.997 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.68 ' HA ' ' HB3' ' A' ' 19' ' ' ALA . 16.4 m -56.2 -46.88 81.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 53.7 mt -47.52 -37.88 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 66.4 mm-40 -95.81 -35.73 11.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.299 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.68 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -56.76 -48.94 76.71 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.449 1.093 . . . . 0.0 109.286 -179.544 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.611 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.5 pp -68.39 -35.24 69.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.485 1.116 . . . . 0.0 109.261 -177.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.578 ' N ' HD12 ' A' ' 20' ' ' ILE . 0.6 OUTLIER -63.05 -46.34 87.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -178.465 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -53.13 -41.16 64.78 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.19 -41.77 69.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 27.4 mt-30 -71.58 -48.61 47.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.276 179.472 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.524 ' N ' ' O ' ' A' ' 21' ' ' HIS . 9.3 mtm180 . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.11 . . . . 0.0 110.31 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.989 ' CE2' HD13 ' A' ' 4' ' ' LEU . 2.0 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.499 0.19 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.975 ' O ' HG23 ' A' ' 6' ' ' ILE . 0.7 OUTLIER -104.5 -67.0 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 109.303 179.165 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.916 ' HA ' HG12 ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.97 -48.53 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.474 1.776 . . . . 0.0 110.964 -178.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.989 HD13 ' CE2' ' A' ' 1' ' ' PHE . 10.9 mp -65.14 -15.4 62.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 109.304 -178.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.33 -45.39 5.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 109.336 179.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.975 HG23 ' O ' ' A' ' 2' ' ' LEU . 33.3 pt -58.87 -35.86 58.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.127 . . . . 0.0 109.333 179.224 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.623 ' HG ' ' O ' ' A' ' 3' ' ' PRO . 91.5 mt -58.72 -43.31 90.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 179.749 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -59.92 -49.44 78.49 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.468 1.105 . . . . 0.0 111.029 179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.562 ' O ' ' N ' ' A' ' 13' ' ' THR . 8.9 t -82.46 -4.61 57.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.468 0.746 . . . . 0.0 109.978 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.553 ' HB2' ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -57.89 -36.09 71.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.738 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -91.7 15.84 11.9 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.527 1.142 . . . . 0.0 109.272 -179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 79.7 mtp -133.65 -60.41 0.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.955 -179.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.562 ' N ' ' O ' ' A' ' 9' ' ' SER . 3.7 m -152.36 123.21 3.6 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.016 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.835 ' HB2' ' HD2' ' A' ' 15' ' ' PRO . 18.2 Cg_endo -74.97 -171.27 0.94 Allowed 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.456 1.766 . . . . 0.0 110.999 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.835 ' HD2' ' HB2' ' A' ' 14' ' ' PRO . 18.3 Cg_endo -75.03 57.87 4.73 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.506 1.793 . . . . 0.0 110.985 178.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.441 HG13 ' N ' ' A' ' 17' ' ' ILE . 9.8 p -64.5 -48.73 83.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 109.261 179.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.476 HG13 ' HG3' ' A' ' 18' ' ' GLN . 34.9 pt -51.94 -29.44 11.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.326 179.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' ILE . 65.4 mt-30 -91.99 -39.73 11.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 110.312 -178.081 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.03 -52.12 66.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.521 1.138 . . . . 0.0 109.346 -179.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.536 HD12 ' N ' ' A' ' 21' ' ' HIS . 2.7 pp -64.19 -34.06 66.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -177.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.536 ' N ' HD12 ' A' ' 20' ' ' ILE . 6.6 t60 -65.87 -47.66 74.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 109.583 -178.391 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.47 ' OD2' ' NH2' ' A' ' 25' ' ' ARG . 0.8 OUTLIER -59.53 -49.31 78.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 109.297 -179.041 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -54.93 -37.7 66.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.286 -179.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . . . . . . . . . 10.7 mm100 -74.89 -50.82 15.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 110.252 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.47 ' NH2' ' OD2' ' A' ' 22' ' ' ASP . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.459 1.1 . . . . 0.0 110.315 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 0.758 ' CD2' ' HB2' ' A' ' 4' ' ' LEU . 1.8 t80 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.506 0.193 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.97 ' HB3' ' HD3' ' A' ' 3' ' ' PRO . 51.0 tp -106.68 -69.86 0.03 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.14 . . . . 0.0 109.321 179.348 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.97 ' HD3' ' HB3' ' A' ' 2' ' ' LEU . 18.3 Cg_endo -74.97 -50.92 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.521 1.8 . . . . 0.0 110.995 -178.727 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.758 ' HB2' ' CD2' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -57.99 -30.75 66.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.274 -178.639 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.453 ' HB2' ' HB3' ' A' ' 1' ' ' PHE . 0.2 OUTLIER -78.68 -55.58 5.07 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 109.265 -179.201 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.766 ' CG1' ' O ' ' A' ' 2' ' ' LEU . 1.2 pp -60.28 -38.86 79.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.113 . . . . 0.0 109.3 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 46.6 tp -66.08 -48.16 71.88 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.131 . . . . 0.0 109.29 -179.291 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -55.25 -40.0 73.77 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.469 1.106 . . . . 0.0 110.985 179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.8 t -94.52 24.73 4.36 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 0.0 110.008 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 6' ' ' ILE . 0.2 OUTLIER -110.89 103.34 11.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.547 1.155 . . . . 0.0 109.318 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 42.9 tp -160.38 -66.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.15 . . . . 0.0 109.278 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 88.6 mtp -108.83 -49.91 3.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 110.979 -179.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.416 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 56.6 m -148.84 134.79 9.84 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.379 -178.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 13' ' ' THR . 18.3 Cg_endo -74.98 175.37 11.32 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.535 1.808 . . . . 0.0 111.048 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 60.26 5.36 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.537 1.809 . . . . 0.0 111.032 179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.661 ' O ' HG13 ' A' ' 20' ' ' ILE . 13.8 m -55.6 -46.21 79.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.299 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 10.9 mt -47.78 -36.69 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.417 1.073 . . . . 0.0 109.302 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 63.6 mt-30 -92.59 -39.86 11.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 110.293 -179.43 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.551 ' HB3' ' HA ' ' A' ' 16' ' ' VAL . . . -55.99 -50.15 71.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.848 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.661 HG13 ' O ' ' A' ' 16' ' ' VAL . 2.6 pp -65.58 -35.89 76.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 109.312 -177.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 0.993 ' CE1' ' NH2' ' A' ' 25' ' ' ARG . 32.0 t60 -63.88 -49.79 71.35 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.465 1.103 . . . . 0.0 109.6 -178.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -63.06 -37.71 88.27 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.339 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.12 -39.48 78.78 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.479 1.112 . . . . 0.0 109.325 -179.744 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.59 ' HG3' ' O ' ' A' ' 20' ' ' ILE . 61.9 mt-30 -52.56 -38.29 59.56 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 0.0 110.308 179.817 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.993 ' NH2' ' CE1' ' A' ' 21' ' ' HIS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PHE . . . . . 1.076 ' CA ' HD23 ' A' ' 5' ' ' LEU . 15.7 p90 . . . . . 0 N--CA 1.452 -0.329 0 CA-C-O 120.484 0.183 . . . . 0.0 111.009 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.653 ' C ' ' O ' ' A' ' 1' ' ' PHE . 1.2 mt -17.09 -61.6 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 178.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.906 ' HD2' ' CG ' ' A' ' 1' ' ' PHE . 18.5 Cg_endo -74.99 -57.19 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.467 1.772 . . . . 0.0 111.019 -179.019 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.707 ' HB2' ' N ' ' A' ' 1' ' ' PHE . 4.2 mm? -60.41 -34.62 74.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.28 -177.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 1.076 HD23 ' CA ' ' A' ' 1' ' ' PHE . 2.7 mm? -63.37 -57.01 11.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 109.286 -179.006 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 1.167 ' CB ' ' HG3' ' A' ' 15' ' ' PRO . 26.0 pt -62.24 -39.06 82.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.774 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 10' ' ' LEU . 6.5 tt -64.36 -50.82 66.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.277 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.94 -40.84 74.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.47 1.106 . . . . 0.0 111.011 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.2 t -95.39 24.73 4.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 0.782 . . . . 0.0 110.052 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.011 HD22 ' HA ' ' A' ' 14' ' ' PRO . 0.1 OUTLIER -96.09 56.1 1.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.719 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.438 ' HA ' HD13 ' A' ' 11' ' ' LEU . 4.1 mm? -110.86 -54.85 2.56 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 0.0 109.294 179.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' MET . . . . . . . . . . . . . 73.5 mtp -85.77 -54.56 4.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.422 ' HA ' ' HD3' ' A' ' 14' ' ' PRO . 88.1 m -148.61 136.92 11.52 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 110.425 -179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PRO . . . . . 1.011 ' HA ' HD22 ' A' ' 10' ' ' LEU . 18.3 Cg_endo -75.01 175.68 10.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 111.0 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 1.167 ' HG3' ' CB ' ' A' ' 6' ' ' ILE . 18.3 Cg_endo -74.99 60.67 5.49 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.568 1.825 . . . . 0.0 110.981 179.69 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.699 ' O ' HG23 ' A' ' 20' ' ' ILE . 16.7 m -57.95 -47.71 85.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.485 1.115 . . . . 0.0 109.336 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 29.0 pt -51.39 -25.67 4.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.478 1.111 . . . . 0.0 109.331 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.529 ' HB2' ' HB2' ' A' ' 15' ' ' PRO . 77.6 mm-40 -100.74 -35.61 9.4 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.309 -179.308 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.502 ' N ' ' O ' ' A' ' 15' ' ' PRO . . . -59.77 -53.69 54.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 179.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.699 HG23 ' O ' ' A' ' 16' ' ' VAL . 0.1 OUTLIER -68.75 -28.76 41.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -177.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' HIS . . . . . 1.262 ' CD2' ' NH2' ' A' ' 25' ' ' ARG . 14.4 t-80 -65.14 -49.71 68.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.618 -177.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.2 -39.26 82.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 109.251 -179.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -65.67 -46.75 77.92 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 20' ' ' ILE . 32.6 mm-40 -52.49 -33.33 44.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 110.29 179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 1.262 ' NH2' ' CD2' ' A' ' 21' ' ' HIS . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 110.29 179.836 . . . . . . . . 2 2 . 1 stop_ save_